2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile

C28H18N2O — CID 132961614

IUPAC2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C28H18N2O/c29-19-20-14-15-27-26(16-20)25(21-8-3-1-4-9-21)18-28(30-27)22-10-7-13-24(17-22)31-23-11-5-2-6-12-23/h1-18H
InChIKeyVIIOLUDOTXBUDW-UHFFFAOYSA-N
MW398.47 g/mol
LogP7.23
Rot. Bonds4

About 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile

2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile (PubChem CID 132961614) has the molecular formula C28H18N2O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile
PubChem CID132961614
Molecular FormulaC28H18N2O
Molecular Weight398.47 g/mol
Exact Mass398.14
IUPAC Name2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C28H18N2O/c29-19-20-14-15-27-26(16-20)25(21-8-3-1-4-9-21)18-28(30-27)22-10-7-13-24(17-22)31-23-11-5-2-6-12-23/h1-18H
InChIKeyVIIOLUDOTXBUDW-UHFFFAOYSA-N
XLogP7.23
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile?
The IUPAC name of 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile (CID 132961614) is 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile.
What is the SMILES notation for 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile?
The canonical SMILES for 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile is N#Cc1ccc2nc(-c3cccc(Oc4ccccc4)c3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile?
The InChIKey is VIIOLUDOTXBUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O/c29-19-20-14-15-27-26(16-20)25(21-8-3-1-4-9-21)18-28(30-27)22-10-7-13-24(17-22)31-23-11-5-2-6-12-23/h1-18H.
What are the key properties of 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile?
2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)-4-phenylquinoline-6-carbonitrile is sourced from PubChem (CID 132961614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).