2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile

C28H23N — CID 68950376

IUPAC2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)c(CC#N)c(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C28H23N/c1-20-8-12-22(13-9-20)25-18-27(23-6-4-3-5-7-23)26(16-17-29)28(19-25)24-14-10-21(2)11-15-24/h3-15,18-19H,16H2,1-2H3
InChIKeyZGHFGXWRZPLACW-UHFFFAOYSA-N
MW373.50 g/mol
LogP7.37
Rot. Bonds4

About 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile

2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile (PubChem CID 68950376) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile.

Molecular Properties

Compound Name2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile
PubChem CID68950376
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)c(CC#N)c(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C28H23N/c1-20-8-12-22(13-9-20)25-18-27(23-6-4-3-5-7-23)26(16-17-29)28(19-25)24-14-10-21(2)11-15-24/h3-15,18-19H,16H2,1-2H3
InChIKeyZGHFGXWRZPLACW-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

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Related Compounds

2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile
CID 140515655
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1-bromo-4-(4-methylphenyl)-2-phenylbenzene
CID 70958469
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile?
The IUPAC name of 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile (CID 68950376) is 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile.
What is the SMILES notation for 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile?
The canonical SMILES for 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile is Cc1ccc(-c2cc(-c3ccccc3)c(CC#N)c(-c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile?
The InChIKey is ZGHFGXWRZPLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-20-8-12-22(13-9-20)25-18-27(23-6-4-3-5-7-23)26(16-17-29)28(19-25)24-14-10-21(2)11-15-24/h3-15,18-19H,16H2,1-2H3.
What are the key properties of 2-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile?
2-[2,4-bis(4-methylphenyl)-6-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-[2,4-bis(4-methylphenyl)-6-phenylphenyl]acetonitrile is sourced from PubChem (CID 68950376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).