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

C12H35N7P2, 339.409 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.

verified recordOrganic compound400 documented reactions

Drawn from the SMILES. It shows how the atoms are connected — not a photograph of a molecule, and not its shape in space.

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

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Both are open without an account.

Calculated properties

Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.

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

400 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.