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

C30H19N3S — CID 146543457

IUPAC4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ccccc1-c1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H19N3S/c31-19-21-20-32-18-17-22(21)23-9-1-2-10-24(23)25-11-3-4-12-26(25)33-27-13-5-7-15-29(27)34-30-16-8-6-14-28(30)33/h1-18,20H
InChIKeyWDHAEPUFJSVXSA-UHFFFAOYSA-N
MW453.57 g/mol
LogP8.22
Rot. Bonds3

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

4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile (PubChem CID 146543457) has the molecular formula C30H19N3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile
PubChem CID146543457
Molecular FormulaC30H19N3S
Molecular Weight453.57 g/mol
Exact Mass453.13
IUPAC Name4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ccccc1-c1ccccc1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C30H19N3S/c31-19-21-20-32-18-17-22(21)23-9-1-2-10-24(23)25-11-3-4-12-26(25)33-27-13-5-7-15-29(27)34-30-16-8-6-14-28(30)33/h1-18,20H
InChIKeyWDHAEPUFJSVXSA-UHFFFAOYSA-N
XLogP8.22
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile (CID 146543457) is 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile is N#Cc1cnccc1-c1ccccc1-c1ccccc1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is WDHAEPUFJSVXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3S/c31-19-21-20-32-18-17-22(21)23-9-1-2-10-24(23)25-11-3-4-12-26(25)33-27-13-5-7-15-29(27)34-30-16-8-6-14-28(30)33/h1-18,20H.
What are the key properties of 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile?
4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 453.57 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenothiazin-10-ylphenyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146543457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).