[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene

C36H27N6P — CID 132507261

IUPAC[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene
SMILESc1ccc(/N=N/c2ccc(P(c3ccc(/N=N/c4ccccc4)cc3)c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H27N6P/c1-4-10-28(11-5-1)37-40-31-16-22-34(23-17-31)43(35-24-18-32(19-25-35)41-38-29-12-6-2-7-13-29)36-26-20-33(21-27-36)42-39-30-14-8-3-9-15-30/h1-27H/b40-37+,41-38+,42-39+
InChIKeySZCAFOKYTLXCRF-FHJKABMISA-N
MW574.63 g/mol
LogP10.69
Rot. Bonds9

About [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene

[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene (PubChem CID 132507261) has the molecular formula C36H27N6P and a molecular weight of 574.63 g/mol. Its IUPAC name is [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene.

Molecular Properties

Compound Name[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene
PubChem CID132507261
Molecular FormulaC36H27N6P
Molecular Weight574.63 g/mol
Exact Mass574.20
IUPAC Name[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene
SMILESc1ccc(/N=N/c2ccc(P(c3ccc(/N=N/c4ccccc4)cc3)c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C36H27N6P/c1-4-10-28(11-5-1)37-40-31-16-22-34(23-17-31)43(35-24-18-32(19-25-35)41-38-29-12-6-2-7-13-29)36-26-20-33(21-27-36)42-39-30-14-8-3-9-15-30/h1-27H/b40-37+,41-38+,42-39+
InChIKeySZCAFOKYTLXCRF-FHJKABMISA-N
XLogP10.69
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.63
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

diphenyldiazene;hydrofluoride
CID 174857584
bis(diphenyldiazene);uranium;vanadium
CID 158886927
triphenylphosphane
CID 139056248
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409

Frequently Asked Questions

What is the IUPAC name of [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene?
The IUPAC name of [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene (CID 132507261) is [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene.
What is the SMILES notation for [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene?
The canonical SMILES for [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene is c1ccc(/N=N/c2ccc(P(c3ccc(/N=N/c4ccccc4)cc3)c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene?
The InChIKey is SZCAFOKYTLXCRF-FHJKABMISA-N. The full InChI is InChI=1S/C36H27N6P/c1-4-10-28(11-5-1)37-40-31-16-22-34(23-17-31)43(35-24-18-32(19-25-35)41-38-29-12-6-2-7-13-29)36-26-20-33(21-27-36)42-39-30-14-8-3-9-15-30/h1-27H/b40-37+,41-38+,42-39+.
What are the key properties of [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene?
[4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene has a molecular weight of 574.63 g/mol, XLogP of 10.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bis(4-phenyldiazenylphenyl)phosphanylphenyl]-phenyldiazene is sourced from PubChem (CID 132507261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).