4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile

C25H18N2O — CID 3112242

IUPAC4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C25H18N2O/c26-17-23-22(20-12-6-2-7-13-20)16-24(21-14-8-3-9-15-21)27-25(23)28-18-19-10-4-1-5-11-19/h1-16H,18H2
InChIKeyPGFHKCAMENPFLK-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.87
Rot. Bonds5

About 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile

4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile (PubChem CID 3112242) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile
PubChem CID3112242
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C25H18N2O/c26-17-23-22(20-12-6-2-7-13-20)16-24(21-14-8-3-9-15-21)27-25(23)28-18-19-10-4-1-5-11-19/h1-16H,18H2
InChIKeyPGFHKCAMENPFLK-UHFFFAOYSA-N
XLogP5.87
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile?
The IUPAC name of 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile (CID 3112242) is 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile?
The canonical SMILES for 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile?
The InChIKey is PGFHKCAMENPFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c26-17-23-22(20-12-6-2-7-13-20)16-24(21-14-8-3-9-15-21)27-25(23)28-18-19-10-4-1-5-11-19/h1-16H,18H2.
What are the key properties of 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile?
4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile has a molecular weight of 362.43 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-phenylmethoxypyridine-3-carbonitrile is sourced from PubChem (CID 3112242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).