1-benzyl-2-phenylindole-5-carbonitrile

C22H16N2 — CID 134943475

IUPAC1-benzyl-2-phenylindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)cc(-c1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C22H16N2/c23-15-18-11-12-21-20(13-18)14-22(19-9-5-2-6-10-19)24(21)16-17-7-3-1-4-8-17/h1-14H,16H2
InChIKeyMIXYGWSQDPLLHU-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.23
Rot. Bonds3

About 1-benzyl-2-phenylindole-5-carbonitrile

1-benzyl-2-phenylindole-5-carbonitrile (PubChem CID 134943475) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-2-phenylindole-5-carbonitrile.

Molecular Properties

Compound Name1-benzyl-2-phenylindole-5-carbonitrile
PubChem CID134943475
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name1-benzyl-2-phenylindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)cc(-c1ccccc1)n2Cc1ccccc1
InChIInChI=1S/C22H16N2/c23-15-18-11-12-21-20(13-18)14-22(19-9-5-2-6-10-19)24(21)16-17-7-3-1-4-8-17/h1-14H,16H2
InChIKeyMIXYGWSQDPLLHU-UHFFFAOYSA-N
XLogP5.23
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methyl]-2-methylindole-5-carbonitrile
CID 143383296
1-benzyl-7-methyl-2-phenylindole
CID 155931625
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-benzyl-2-phenylquinoline-4-thione
CID 11381842
6-phenylbenzimidazolo[2,1-a]isoquinoline-3-carbonitrile
CID 71560265
3-[[2-phenyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoic acid
CID 67684519
4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile
CID 54442529
3-[(5-phenyltriazol-1-yl)methyl]benzonitrile
CID 82221921
2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile
CID 21432563
1-benzyl-2-fluoro-3,5-diphenylpyrrole
CID 134836340
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-phenylindole-5-carbonitrile?
The IUPAC name of 1-benzyl-2-phenylindole-5-carbonitrile (CID 134943475) is 1-benzyl-2-phenylindole-5-carbonitrile.
What is the SMILES notation for 1-benzyl-2-phenylindole-5-carbonitrile?
The canonical SMILES for 1-benzyl-2-phenylindole-5-carbonitrile is N#Cc1ccc2c(c1)cc(-c1ccccc1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-phenylindole-5-carbonitrile?
The InChIKey is MIXYGWSQDPLLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c23-15-18-11-12-21-20(13-18)14-22(19-9-5-2-6-10-19)24(21)16-17-7-3-1-4-8-17/h1-14H,16H2.
What are the key properties of 1-benzyl-2-phenylindole-5-carbonitrile?
1-benzyl-2-phenylindole-5-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-phenylindole-5-carbonitrile is sourced from PubChem (CID 134943475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).