2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile

C27H19N3O2 — CID 176522061

IUPAC2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2nc(-c3cccc(OC)c3)c(C#N)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C27H19N3O2/c1-31-21-12-6-10-19(14-21)26-23(16-28)25(18-8-4-3-5-9-18)24(17-29)27(30-26)20-11-7-13-22(15-20)32-2/h3-15H,1-2H3
InChIKeyLNRGAKLGCCMSBV-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.84
Rot. Bonds5

About 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile

2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 176522061) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID176522061
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC Name2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2nc(-c3cccc(OC)c3)c(C#N)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C27H19N3O2/c1-31-21-12-6-10-19(14-21)26-23(16-28)25(18-8-4-3-5-9-18)24(17-29)27(30-26)20-11-7-13-22(15-20)32-2/h3-15H,1-2H3
InChIKeyLNRGAKLGCCMSBV-UHFFFAOYSA-N
XLogP5.84
TPSA78.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522065
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
2-amino-6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58740095
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile (CID 176522061) is 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile is COc1cccc(-c2nc(-c3cccc(OC)c3)c(C#N)c(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is LNRGAKLGCCMSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c1-31-21-12-6-10-19(14-21)26-23(16-28)25(18-8-4-3-5-9-18)24(17-29)27(30-26)20-11-7-13-22(15-20)32-2/h3-15H,1-2H3.
What are the key properties of 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile?
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 417.47 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176522061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).