5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile

C32H20N3OP — CID 140898944

IUPAC5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4P(=O)(c4ccccc4)c4ccccc43)cc2)c1
InChIInChI=1S/C32H20N3OP/c33-21-23-18-24(22-34)20-26(19-23)25-14-16-27(17-15-25)35-29-10-4-6-12-31(29)37(36,28-8-2-1-3-9-28)32-13-7-5-11-30(32)35/h1-20H
InChIKeySXVCVKMCYUCERI-UHFFFAOYSA-N
MW493.51 g/mol
LogP6.52
Rot. Bonds3

About 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile

5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 140898944) has the molecular formula C32H20N3OP and a molecular weight of 493.51 g/mol. Its IUPAC name is 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID140898944
Molecular FormulaC32H20N3OP
Molecular Weight493.51 g/mol
Exact Mass493.13
IUPAC Name5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4P(=O)(c4ccccc4)c4ccccc43)cc2)c1
InChIInChI=1S/C32H20N3OP/c33-21-23-18-24(22-34)20-26(19-23)25-14-16-27(17-15-25)35-29-10-4-6-12-31(29)37(36,28-8-2-1-3-9-28)32-13-7-5-11-30(32)35/h1-20H
InChIKeySXVCVKMCYUCERI-UHFFFAOYSA-N
XLogP6.52
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide
CID 140898941
3-bromo-5,10-diphenylphenophosphazinine 10-oxide
CID 140919766
5-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[2,5-dimethyl-4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile;5-[5-(3,5-diphenylphenyl)-2-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[6-(3,5-diphenylphenyl)-3-pyridinyl]-10-phenylphenophosphazinine 10-oxide;5-[5-(3,5-diphenylphenyl)pyrimidin-2-yl]-10-phenylphenophosphazinine 10-oxide;5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 158432406
3-methyl-5-(14-oxo-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]-3'-yl)benzonitrile
CID 165008195
2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122435734
2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide
CID 153292066
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699
3-[3-cyano-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile
CID 158925413
4-[10-(8-oxo-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-15-yl)anthracen-9-yl]benzonitrile
CID 138723396
4-(5'-oxo-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine]-2'-yl)benzonitrile
CID 135140088
3-[4,18-diphenyl-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]benzonitrile
CID 170679865
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-10-phenylphenophosphazinine 10-oxide;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;5-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-10-phenylphenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-3-ylphenyl)phenophosphazinine 10-oxide;10-phenyl-5-(4-pyridin-4-ylphenyl)phenophosphazinine 10-oxide
CID 157082217

Frequently Asked Questions

What is the IUPAC name of 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile (CID 140898944) is 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4P(=O)(c4ccccc4)c4ccccc43)cc2)c1.
What is the InChIKey of 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is SXVCVKMCYUCERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N3OP/c33-21-23-18-24(22-34)20-26(19-23)25-14-16-27(17-15-25)35-29-10-4-6-12-31(29)37(36,28-8-2-1-3-9-28)32-13-7-5-11-30(32)35/h1-20H.
What are the key properties of 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile?
5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 493.51 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 140898944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).