4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile

C26H20N2O2 — CID 12575125

IUPAC4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N2O2/c1-29-21-12-8-18(9-13-21)23-16-25(19-10-14-22(30-2)15-11-19)28-26(24(23)17-27)20-6-4-3-5-7-20/h3-16H,1-2H3
InChIKeyGTCGIYHEYXJBNS-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.97
Rot. Bonds5

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

4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile (PubChem CID 12575125) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
PubChem CID12575125
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N2O2/c1-29-21-12-8-18(9-13-21)23-16-25(19-10-14-22(30-2)15-11-19)28-26(24(23)17-27)20-6-4-3-5-7-20/h3-16H,1-2H3
InChIKeyGTCGIYHEYXJBNS-UHFFFAOYSA-N
XLogP5.97
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
4-(4-tert-butylphenyl)-6-[4-[4-(4-tert-butylphenyl)-5-cyano-6-phenyl-2-pyridinyl]phenyl]-2-phenylpyridine-3-carbonitrile
CID 66676027
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3360693
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-[[4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanylmethyl]phenyl]methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3165607
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-(benzylsulfanylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3330687
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3329563

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile?
The IUPAC name of 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile (CID 12575125) is 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile?
The InChIKey is GTCGIYHEYXJBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-29-21-12-8-18(9-13-21)23-16-25(19-10-14-22(30-2)15-11-19)28-26(24(23)17-27)20-6-4-3-5-7-20/h3-16H,1-2H3.
What are the key properties of 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile?
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 12575125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).