(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene

C24H18ClN2P — CID 101442398

IUPAC(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene
SMILESClc1ccc(/N=N/c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18ClN2P/c25-19-15-17-20(18-16-19)26-27-23-13-7-8-14-24(23)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H/b27-26+
InChIKeyCQKQUTTWANUCIA-CYYJNZCTSA-N
MW400.85 g/mol
LogP6.51
Rot. Bonds5

About (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene

(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene (PubChem CID 101442398) has the molecular formula C24H18ClN2P and a molecular weight of 400.85 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene
PubChem CID101442398
Molecular FormulaC24H18ClN2P
Molecular Weight400.85 g/mol
Exact Mass400.09
IUPAC Name(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene
SMILESClc1ccc(/N=N/c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H18ClN2P/c25-19-15-17-20(18-16-19)26-27-23-13-7-8-14-24(23)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H/b27-26+
InChIKeyCQKQUTTWANUCIA-CYYJNZCTSA-N
XLogP6.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.85
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene?
The IUPAC name of (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene (CID 101442398) is (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene.
What is the SMILES notation for (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene?
The canonical SMILES for (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene is Clc1ccc(/N=N/c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene?
The InChIKey is CQKQUTTWANUCIA-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H18ClN2P/c25-19-15-17-20(18-16-19)26-27-23-13-7-8-14-24(23)28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18H/b27-26+.
What are the key properties of (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene?
(4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene has a molecular weight of 400.85 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-diphenylphosphanylphenyl)diazene is sourced from PubChem (CID 101442398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).