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Phosphine, cyclohexyldiphenyl-

An aromatic compound, C18H21P, 268.34 g/mol. Appears in 5 documented reactions.

verified record, Organic — aromatic compound, 5 documented reactions

Identifiers

Molecular formula
C₁₈H₂₁P
Molecular weight
268.34 g/mol
Exact mass
268.138087 g/mol
IUPAC name
cyclohexyl(diphenyl)phosphane
SMILES
c1ccc(P(c2ccccc2)C2CCCCC2)cc1
InChI
InChI=1S/C18H21P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey
ZXKWUYWWVSKKQZ-UHFFFAOYSA-N

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
268.3 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
268.138087668 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
4.9calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
0 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
226calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
0calculated · reference compound database
H-bond acceptors
0calculated · reference compound database
logP
4.452calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
0 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
0calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
3calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
85.945 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0.3333calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.7213calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
19
Total atoms, hydrogen included
40
Rings
3
Aromatic rings
2
Stereocentres
0
Formal charge
0

Functional groups

  • Aromatic ring

    A flat six-membered ring with delocalised electrons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Other names for it

The systematic name on this record is cyclohexyl(diphenyl)phosphane.

The sources also call it Cyclohexyldiphenylphosphine, Diphenylcyclohexylphosphine, EINECS 228-904-2, DTXSID6074671, RefChem:861957, DTXCID4044086, Cyclohexyl diphenyl phosphine, cyclohexyl(diphenyl)phosphane, MFCD00046360, cyclohexyldiphenylphosphane, C18H21P.

Structurally related

Nothing structurally close to Phosphine, cyclohexyldiphenyl- has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Phosphine, cyclohexyldiphenyl-. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

Where these values came from

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.