2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile

C25H19N2P — CID 4918351

IUPAC2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
SMILESN#Cc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N2P/c26-20-21-12-10-11-19-25(21)27-28(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H
InChIKeyKCEOOWGQUWFXAD-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.37
Rot. Bonds4

About 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile

2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile (PubChem CID 4918351) has the molecular formula C25H19N2P and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile.

Molecular Properties

Compound Name2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
PubChem CID4918351
Molecular FormulaC25H19N2P
Molecular Weight378.42 g/mol
Exact Mass378.13
IUPAC Name2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
SMILESN#Cc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N2P/c26-20-21-12-10-11-19-25(21)27-28(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H
InChIKeyKCEOOWGQUWFXAD-UHFFFAOYSA-N
XLogP5.37
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile?
The IUPAC name of 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile (CID 4918351) is 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile.
What is the SMILES notation for 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile?
The canonical SMILES for 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile is N#Cc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile?
The InChIKey is KCEOOWGQUWFXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N2P/c26-20-21-12-10-11-19-25(21)27-28(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H.
What are the key properties of 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile?
2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile has a molecular weight of 378.42 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile is sourced from PubChem (CID 4918351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).