6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile

C26H16ClN3 — CID 71482052

IUPAC6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C26H16ClN3/c27-19-12-10-18(11-13-19)25-14-21(17-6-2-1-3-7-17)22(15-28)26(30-25)23-16-29-24-9-5-4-8-20(23)24/h1-14,16,29H
InChIKeyUDDDDKXYJCAJIK-UHFFFAOYSA-N
MW405.89 g/mol
LogP7.09
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile

6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile (PubChem CID 71482052) has the molecular formula C26H16ClN3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
PubChem CID71482052
Molecular FormulaC26H16ClN3
Molecular Weight405.89 g/mol
Exact Mass405.10
IUPAC Name6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C26H16ClN3/c27-19-12-10-18(11-13-19)25-14-21(17-6-2-1-3-7-17)22(15-28)26(30-25)23-16-29-24-9-5-4-8-20(23)24/h1-14,16,29H
InChIKeyUDDDDKXYJCAJIK-UHFFFAOYSA-N
XLogP7.09
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
CID 171343468
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 71481732
4-(4-chlorophenyl)-6-[7-(diethylamino)-2-oxochromen-3-yl]-2-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 137346450
2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 137346423
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 10572392
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
methane;3-phenyl-1H-indole
CID 167711687
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile (CID 71482052) is 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile?
The InChIKey is UDDDDKXYJCAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClN3/c27-19-12-10-18(11-13-19)25-14-21(17-6-2-1-3-7-17)22(15-28)26(30-25)23-16-29-24-9-5-4-8-20(23)24/h1-14,16,29H.
What are the key properties of 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile has a molecular weight of 405.89 g/mol, XLogP of 7.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 71482052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).