2,N'3,N'3,N3,N3,N'5,N'5,N5,N5-nonamethyl-2,4,6-triaza-3lambda5,5lambda5-diphosphaocta-3,5-diene-3,3,5,5-tetramine

An organic compound, C12H35N7P2, 339.409 g/mol. Appears in 1,696 documented reactions across 8 classes.

verified recordOrganic compound1,696 documented reactions

Identifiers

Molecular formula: C₁₂H₃₅N₇P₂
Molecular weight: 339.409 g/mol
Exact mass: 339.242917 g/mol
IUPAC name: N-[dimethylamino-ethylimino-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]-N-methylmethanamine
SMILES: CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChI: InChI=1S/C12H35N7P2/c1-12-13-20(15(2)3,16(4)5)14-21(17(6)7,18(8)9)19(10)11/h12H2,1-11H3
InChIKey: CFUKEHPEQCSIOM-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Calculated properties

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

Molecular weight: 339.4 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 339.24291814 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 1.8calculated · reference compound database; Estimated oil/water partition, computed by reference compound database.
Polar surface area: 40.9 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 387calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 0calculated · reference compound database
H-bond acceptors: 7calculated · reference compound database
logP: 2.7067calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 40.92 Å²calculated · 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: 1calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 7calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 97.672 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.6672calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon12 atoms · 42.5% by mass
N Nitrogen7 atoms · 28.9% by mass
P Phosphorus2 atoms · 18.3% by mass
H Hydrogen35 atoms · 10.4% by mass

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

Structure

Heavy atoms, hydrogen excluded: 21
Total atoms, hydrogen included: 56
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

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.

Reactions it appears in

1,696 documented reactions involve 2,N'3,N'3,N3,N3,N'5,N'5,N5,N5-nonamethyl-2,4,6-triaza-3lambda5,5lambda5-diphosphaocta-3,5-diene-3,3,5,5-tetramine, each with a written procedure and a source across 8 classes. A few from each are shown.