2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

C28H21N3O2 — CID 71481907

IUPAC2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C28H21N3O2/c1-32-20-11-7-18(8-12-20)23-15-27(19-9-13-21(33-2)14-10-19)31-28(24(23)16-29)25-17-30-26-6-4-3-5-22(25)26/h3-15,17,30H,1-2H3
InChIKeyBKMGQNUWQURUNE-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.45
Rot. Bonds5

About 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 71481907) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID71481907
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(-c3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C28H21N3O2/c1-32-20-11-7-18(8-12-20)23-15-27(19-9-13-21(33-2)14-10-19)31-28(24(23)16-29)25-17-30-26-6-4-3-5-22(25)26/h3-15,17,30H,1-2H3
InChIKeyBKMGQNUWQURUNE-UHFFFAOYSA-N
XLogP6.45
TPSA70.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
CID 71482052
2-(1H-indol-3-yl)-6-phenyl-4-(3,4,5-trimethylphenyl)pyridine-3-carbonitrile
CID 171343468
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
4-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 71481732
4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
CID 136854497
2-(1H-indol-3-yl)-6-(2-oxochromen-3-yl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 137346423
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 10572392
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
4-(4-chlorophenyl)-6-[7-(diethylamino)-2-oxochromen-3-yl]-2-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 137346450

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile (CID 71481907) is 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(-c3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is BKMGQNUWQURUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-32-20-11-7-18(8-12-20)23-15-27(19-9-13-21(33-2)14-10-19)31-28(24(23)16-29)25-17-30-26-6-4-3-5-22(25)26/h3-15,17,30H,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 431.50 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 71481907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).