2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile

C29H23N3 — CID 171343468

IUPAC2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3ccccc3)nc(-c3c[nH]c4ccccc34)c2C#N)cc(C)c1C
InChIInChI=1S/C29H23N3/c1-18-13-22(14-19(2)20(18)3)24-15-28(21-9-5-4-6-10-21)32-29(25(24)16-30)26-17-31-27-12-8-7-11-23(26)27/h4-15,17,31H,1-3H3
InChIKeySITLEJXPKINWIN-UHFFFAOYSA-N
MW413.52 g/mol
LogP7.36
Rot. Bonds3

About 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile

2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile (PubChem CID 171343468) has the molecular formula C29H23N3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
PubChem CID171343468
Molecular FormulaC29H23N3
Molecular Weight413.52 g/mol
Exact Mass413.19
IUPAC Name2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(-c3ccccc3)nc(-c3c[nH]c4ccccc34)c2C#N)cc(C)c1C
InChIInChI=1S/C29H23N3/c1-18-13-22(14-19(2)20(18)3)24-15-28(21-9-5-4-6-10-21)32-29(25(24)16-30)26-17-31-27-12-8-7-11-23(26)27/h4-15,17,31H,1-3H3
InChIKeySITLEJXPKINWIN-UHFFFAOYSA-N
XLogP7.36
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile (CID 171343468) is 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile is Cc1cc(-c2cc(-c3ccccc3)nc(-c3c[nH]c4ccccc34)c2C#N)cc(C)c1C.
What is the InChIKey of 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile?
The InChIKey is SITLEJXPKINWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3/c1-18-13-22(14-19(2)20(18)3)24-15-28(21-9-5-4-6-10-21)32-29(25(24)16-30)26-17-31-27-12-8-7-11-23(26)27/h4-15,17,31H,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile?
2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile has a molecular weight of 413.52 g/mol, XLogP of 7.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171343468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).