4-(2-phenyl-1H-indol-3-yl)benzonitrile

C21H14N2 — CID 12065987

IUPAC4-(2-phenyl-1H-indol-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H14N2/c22-14-15-10-12-16(13-11-15)20-18-8-4-5-9-19(18)23-21(20)17-6-2-1-3-7-17/h1-13,23H
InChIKeyCOJOIVMIGPKTGF-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.37
Rot. Bonds2

About 4-(2-phenyl-1H-indol-3-yl)benzonitrile

4-(2-phenyl-1H-indol-3-yl)benzonitrile (PubChem CID 12065987) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(2-phenyl-1H-indol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-phenyl-1H-indol-3-yl)benzonitrile
PubChem CID12065987
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name4-(2-phenyl-1H-indol-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H14N2/c22-14-15-10-12-16(13-11-15)20-18-8-4-5-9-19(18)23-21(20)17-6-2-1-3-7-17/h1-13,23H
InChIKeyCOJOIVMIGPKTGF-UHFFFAOYSA-N
XLogP5.37
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
4-[3-(3,4-dichlorophenyl)-4-oxo-1H-quinolin-2-yl]benzonitrile
CID 122395916
2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
CID 139885625
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
[2-(4-cyanophenyl)-1H-indol-3-yl] methyl carbonate
CID 70135708
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
CID 629515
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyl-1H-indol-3-yl)benzonitrile?
The IUPAC name of 4-(2-phenyl-1H-indol-3-yl)benzonitrile (CID 12065987) is 4-(2-phenyl-1H-indol-3-yl)benzonitrile.
What is the SMILES notation for 4-(2-phenyl-1H-indol-3-yl)benzonitrile?
The canonical SMILES for 4-(2-phenyl-1H-indol-3-yl)benzonitrile is N#Cc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(2-phenyl-1H-indol-3-yl)benzonitrile?
The InChIKey is COJOIVMIGPKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c22-14-15-10-12-16(13-11-15)20-18-8-4-5-9-19(18)23-21(20)17-6-2-1-3-7-17/h1-13,23H.
What are the key properties of 4-(2-phenyl-1H-indol-3-yl)benzonitrile?
4-(2-phenyl-1H-indol-3-yl)benzonitrile has a molecular weight of 294.36 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyl-1H-indol-3-yl)benzonitrile is sourced from PubChem (CID 12065987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).