2,2-bis(diphenylphosphanyl)-N-phenylethenimine

C32H25NP2 — CID 11409121

IUPAC2,2-bis(diphenylphosphanyl)-N-phenylethenimine
SMILESC(=Nc1ccccc1)=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NP2/c1-6-16-27(17-7-1)33-26-32(34(28-18-8-2-9-19-28)29-20-10-3-11-21-29)35(30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H
InChIKeyIMAUMJZYWAAMJY-UHFFFAOYSA-N
MW485.51 g/mol
LogP7.09
Rot. Bonds7

About 2,2-bis(diphenylphosphanyl)-N-phenylethenimine

2,2-bis(diphenylphosphanyl)-N-phenylethenimine (PubChem CID 11409121) has the molecular formula C32H25NP2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 2,2-bis(diphenylphosphanyl)-N-phenylethenimine.

Molecular Properties

Compound Name2,2-bis(diphenylphosphanyl)-N-phenylethenimine
PubChem CID11409121
Molecular FormulaC32H25NP2
Molecular Weight485.51 g/mol
Exact Mass485.15
IUPAC Name2,2-bis(diphenylphosphanyl)-N-phenylethenimine
SMILESC(=Nc1ccccc1)=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H25NP2/c1-6-16-27(17-7-1)33-26-32(34(28-18-8-2-9-19-28)29-20-10-3-11-21-29)35(30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H
InChIKeyIMAUMJZYWAAMJY-UHFFFAOYSA-N
XLogP7.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(diphenylphosphanyl)-N-phenylethenimine?
The IUPAC name of 2,2-bis(diphenylphosphanyl)-N-phenylethenimine (CID 11409121) is 2,2-bis(diphenylphosphanyl)-N-phenylethenimine.
What is the SMILES notation for 2,2-bis(diphenylphosphanyl)-N-phenylethenimine?
The canonical SMILES for 2,2-bis(diphenylphosphanyl)-N-phenylethenimine is C(=Nc1ccccc1)=C(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-bis(diphenylphosphanyl)-N-phenylethenimine?
The InChIKey is IMAUMJZYWAAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NP2/c1-6-16-27(17-7-1)33-26-32(34(28-18-8-2-9-19-28)29-20-10-3-11-21-29)35(30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H.
What are the key properties of 2,2-bis(diphenylphosphanyl)-N-phenylethenimine?
2,2-bis(diphenylphosphanyl)-N-phenylethenimine has a molecular weight of 485.51 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(diphenylphosphanyl)-N-phenylethenimine is sourced from PubChem (CID 11409121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).