6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile

C30H19N3O — CID 146543442

IUPAC6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cc2)n1
InChIInChI=1S/C30H19N3O/c31-20-24-8-6-10-26(32-24)22-17-15-21(16-18-22)23-7-5-9-25(19-23)33-27-11-1-3-13-29(27)34-30-14-4-2-12-28(30)33/h1-19H
InChIKeyJSYWMNLPBMXEPC-UHFFFAOYSA-N
MW437.50 g/mol
LogP7.86
Rot. Bonds3

About 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile

6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile (PubChem CID 146543442) has the molecular formula C30H19N3O and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
PubChem CID146543442
Molecular FormulaC30H19N3O
Molecular Weight437.50 g/mol
Exact Mass437.15
IUPAC Name6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cc2)n1
InChIInChI=1S/C30H19N3O/c31-20-24-8-6-10-26(32-24)22-17-15-21(16-18-22)23-7-5-9-25(19-23)33-27-11-1-3-13-29(27)34-30-14-4-2-12-28(30)33/h1-19H
InChIKeyJSYWMNLPBMXEPC-UHFFFAOYSA-N
XLogP7.86
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile (CID 146543442) is 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile is N#Cc1cccc(-c2ccc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cc2)n1.
What is the InChIKey of 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile?
The InChIKey is JSYWMNLPBMXEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3O/c31-20-24-8-6-10-26(32-24)22-17-15-21(16-18-22)23-7-5-9-25(19-23)33-27-11-1-3-13-29(27)34-30-14-4-2-12-28(30)33/h1-19H.
What are the key properties of 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile?
6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile has a molecular weight of 437.50 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146543442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).