2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile

C38H24N2 — CID 58954300

IUPAC2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile
SMILESN#Cc1c(-c2ccccc2-c2ccccc2)cccc1-c1cccc(-c2ccccc2-c2ccccc2)c1C#N
InChIInChI=1S/C38H24N2/c39-25-37-33(31-19-9-7-17-29(31)27-13-3-1-4-14-27)21-11-23-35(37)36-24-12-22-34(38(36)26-40)32-20-10-8-18-30(32)28-15-5-2-6-16-28/h1-24H
InChIKeyKFENEHYPMGYNQN-UHFFFAOYSA-N
MW508.62 g/mol
LogP9.76
Rot. Bonds5

About 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile

2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile (PubChem CID 58954300) has the molecular formula C38H24N2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile.

Molecular Properties

Compound Name2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile
PubChem CID58954300
Molecular FormulaC38H24N2
Molecular Weight508.62 g/mol
Exact Mass508.19
IUPAC Name2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile
SMILESN#Cc1c(-c2ccccc2-c2ccccc2)cccc1-c1cccc(-c2ccccc2-c2ccccc2)c1C#N
InChIInChI=1S/C38H24N2/c39-25-37-33(31-19-9-7-17-29(31)27-13-3-1-4-14-27)21-11-23-35(37)36-24-12-22-34(38(36)26-40)32-20-10-8-18-30(32)28-15-5-2-6-16-28/h1-24H
InChIKeyKFENEHYPMGYNQN-UHFFFAOYSA-N
XLogP9.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 175992914
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
4-chloro-2-phenyl-6-triphenylen-1-ylbenzonitrile
CID 176994508
CID 69011285
CID 69011285
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791
2,6-diphenyl-4-propan-2-ylbenzonitrile
CID 139441487
4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414
2-chloro-3-methyl-6-phenylbenzonitrile
CID 170991765
2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
CID 126496747
2-bromo-3-phenylbenzonitrile
CID 141263565
3-iodo-6-phenylbenzene-1,2-dicarbonitrile
CID 141320941

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile?
The IUPAC name of 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile (CID 58954300) is 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile.
What is the SMILES notation for 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile?
The canonical SMILES for 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile is N#Cc1c(-c2ccccc2-c2ccccc2)cccc1-c1cccc(-c2ccccc2-c2ccccc2)c1C#N.
What is the InChIKey of 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile?
The InChIKey is KFENEHYPMGYNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2/c39-25-37-33(31-19-9-7-17-29(31)27-13-3-1-4-14-27)21-11-23-35(37)36-24-12-22-34(38(36)26-40)32-20-10-8-18-30(32)28-15-5-2-6-16-28/h1-24H.
What are the key properties of 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile?
2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile has a molecular weight of 508.62 g/mol, XLogP of 9.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile is sourced from PubChem (CID 58954300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).