5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile

C36H24N4 — CID 146542668

IUPAC5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccccc2-c2cccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)c1
InChIInChI=1S/C36H24N4/c37-23-26-21-28(25-38-24-26)32-16-5-4-15-31(32)27-11-10-14-30(22-27)40-35-19-8-6-17-33(35)39(29-12-2-1-3-13-29)34-18-7-9-20-36(34)40/h1-22,24-25H
InChIKeyOLTANPHPGYWQCD-UHFFFAOYSA-N
MW512.62 g/mol
LogP9.54
Rot. Bonds4

About 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile

5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (PubChem CID 146542668) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
PubChem CID146542668
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccccc2-c2cccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)c1
InChIInChI=1S/C36H24N4/c37-23-26-21-28(25-38-24-26)32-16-5-4-15-31(32)27-11-10-14-30(22-27)40-35-19-8-6-17-33(35)39(29-12-2-1-3-13-29)34-18-7-9-20-36(34)40/h1-22,24-25H
InChIKeyOLTANPHPGYWQCD-UHFFFAOYSA-N
XLogP9.54
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (CID 146542668) is 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccccc2-c2cccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)c2)c1.
What is the InChIKey of 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
The InChIKey is OLTANPHPGYWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c37-23-26-21-28(25-38-24-26)32-16-5-4-15-31(32)27-11-10-14-30(22-27)40-35-19-8-6-17-33(35)39(29-12-2-1-3-13-29)34-18-7-9-20-36(34)40/h1-22,24-25H.
What are the key properties of 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile has a molecular weight of 512.62 g/mol, XLogP of 9.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146542668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).