2,4,6-triphenylbenzonitrile

C25H17N — CID 4095516

IUPAC2,4,6-triphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C25H17N/c26-18-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H
InChIKeyZEAQPPWIXDNTON-UHFFFAOYSA-N
MW331.42 g/mol
LogP6.56
Rot. Bonds3

About 2,4,6-triphenylbenzonitrile

2,4,6-triphenylbenzonitrile (PubChem CID 4095516) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,4,6-triphenylbenzonitrile.

Molecular Properties

Compound Name2,4,6-triphenylbenzonitrile
PubChem CID4095516
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name2,4,6-triphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C25H17N/c26-18-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H
InChIKeyZEAQPPWIXDNTON-UHFFFAOYSA-N
XLogP6.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Chrysene
CID 9171
Naphthacene
CID 7080
Triphenylene
CID 9170
9-Cyanoanthracene
CID 14586
Benzo(c)phenanthrene
CID 9136
2-Cyano-4'-methylbiphenyl
CID 145512
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
(1,1'-Biphenyl)-4-carbonitrile
CID 18021

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylbenzonitrile?
The IUPAC name of 2,4,6-triphenylbenzonitrile (CID 4095516) is 2,4,6-triphenylbenzonitrile.
What is the SMILES notation for 2,4,6-triphenylbenzonitrile?
The canonical SMILES for 2,4,6-triphenylbenzonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2,4,6-triphenylbenzonitrile?
The InChIKey is ZEAQPPWIXDNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N/c26-18-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H.
What are the key properties of 2,4,6-triphenylbenzonitrile?
2,4,6-triphenylbenzonitrile has a molecular weight of 331.42 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylbenzonitrile is sourced from PubChem (CID 4095516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).