6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile

C38H24N6 — CID 164816985

IUPAC6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cn3)n2)nc1
InChIInChI=1S/C38H24N6/c39-23-26-16-18-32(40-24-26)36-20-31(27-10-4-1-5-11-27)21-37(42-36)33-19-17-30(25-41-33)38-43-34(28-12-6-2-7-13-28)22-35(44-38)29-14-8-3-9-15-29/h1-22,24-25H
InChIKeyQMKMPZJVBXJULM-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.54
Rot. Bonds6

About 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile

6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 164816985) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID164816985
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cn3)n2)nc1
InChIInChI=1S/C38H24N6/c39-23-26-16-18-32(40-24-26)36-20-31(27-10-4-1-5-11-27)21-37(42-36)33-19-17-30(25-41-33)38-43-34(28-12-6-2-7-13-28)22-35(44-38)29-14-8-3-9-15-29/h1-22,24-25H
InChIKeyQMKMPZJVBXJULM-UHFFFAOYSA-N
XLogP8.54
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]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

Related Compounds

4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
4-[2-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]benzonitrile;2-[4-[4-[6-[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165082365
2,4-diphenyl-6-[6-[4-phenyl-6-(6-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine
CID 164816912
3-[6-[5-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-phenyl-2-pyridinyl]isoquinoline
CID 164817039
4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 164817240
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
3-[6-[5-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-2-yl-2-pyridinyl]isoquinoline
CID 164817245
2-phenyl-4-(4-phenylphenyl)-6-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434

Frequently Asked Questions

What is the IUPAC name of 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile (CID 164816985) is 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cn3)n2)nc1.
What is the InChIKey of 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is QMKMPZJVBXJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c39-23-26-16-18-32(40-24-26)36-20-31(27-10-4-1-5-11-27)21-37(42-36)33-19-17-30(25-41-33)38-43-34(28-12-6-2-7-13-28)22-35(44-38)29-14-8-3-9-15-29/h1-22,24-25H.
What are the key properties of 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile?
6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 564.65 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 164816985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).