2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile

C28H23N — CID 140515655

IUPAC2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile
SMILESCc1ccc(-c2c(CC#N)ccc(-c3ccccc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H23N/c1-20-8-12-23(13-9-20)27-25(18-19-29)16-17-26(22-6-4-3-5-7-22)28(27)24-14-10-21(2)11-15-24/h3-17H,18H2,1-2H3
InChIKeyOYOWGSNJBAFYER-UHFFFAOYSA-N
MW373.50 g/mol
LogP7.37
Rot. Bonds4

About 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile

2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile (PubChem CID 140515655) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile.

Molecular Properties

Compound Name2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile
PubChem CID140515655
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile
SMILESCc1ccc(-c2c(CC#N)ccc(-c3ccccc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C28H23N/c1-20-8-12-23(13-9-20)27-25(18-19-29)16-17-26(22-6-4-3-5-7-22)28(27)24-14-10-21(2)11-15-24/h3-17H,18H2,1-2H3
InChIKeyOYOWGSNJBAFYER-UHFFFAOYSA-N
XLogP7.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-diphenylphenyl)acetonitrile
CID 151704246
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile
CID 68950376
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
CID 87586907
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[3-(3-amino-3-methylbutyl)-2-phenylphenyl]acetonitrile
CID 125496428
1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene
CID 173306177
[2,3-bis(4-methylphenyl)phenyl]methanol
CID 67427826
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile?
The IUPAC name of 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile (CID 140515655) is 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile.
What is the SMILES notation for 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile?
The canonical SMILES for 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile is Cc1ccc(-c2c(CC#N)ccc(-c3ccccc3)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile?
The InChIKey is OYOWGSNJBAFYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-20-8-12-23(13-9-20)27-25(18-19-29)16-17-26(22-6-4-3-5-7-22)28(27)24-14-10-21(2)11-15-24/h3-17H,18H2,1-2H3.
What are the key properties of 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile?
2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile has a molecular weight of 373.50 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile is sourced from PubChem (CID 140515655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).