3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile

C35H21N9 — CID 71140568

IUPAC3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cncc(-c3nc(-c4cncc(-c5ccccn5)c4)nc(-c4cncc(-c5ccccn5)c4)n3)c2)c1
InChIInChI=1S/C35H21N9/c36-16-23-6-5-7-24(12-23)25-13-28(20-37-17-25)33-42-34(29-14-26(18-38-21-29)31-8-1-3-10-40-31)44-35(43-33)30-15-27(19-39-22-30)32-9-2-4-11-41-32/h1-15,17-22H
InChIKeyLORFTOPRUZGWAF-UHFFFAOYSA-N
MW567.62 g/mol
LogP6.72
Rot. Bonds6

About 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile

3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile (PubChem CID 71140568) has the molecular formula C35H21N9 and a molecular weight of 567.62 g/mol. Its IUPAC name is 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile
PubChem CID71140568
Molecular FormulaC35H21N9
Molecular Weight567.62 g/mol
Exact Mass567.19
IUPAC Name3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cncc(-c3nc(-c4cncc(-c5ccccn5)c4)nc(-c4cncc(-c5ccccn5)c4)n3)c2)c1
InChIInChI=1S/C35H21N9/c36-16-23-6-5-7-24(12-23)25-13-28(20-37-17-25)33-42-34(29-14-26(18-38-21-29)31-8-1-3-10-40-31)44-35(43-33)30-15-27(19-39-22-30)32-9-2-4-11-41-32/h1-15,17-22H
InChIKeyLORFTOPRUZGWAF-UHFFFAOYSA-N
XLogP6.72
TPSA126.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.62
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile 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

2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
4-pyridin-2-yl-2-pyridin-3-yl-6-[3-[3-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 163783283
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]benzonitrile
CID 138548266
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
3-(3-cyanophenyl)-5-[6-(pyridin-2-ylmethyl)-2-pyridinyl]benzonitrile
CID 58004350
9,9-diphenyl-7-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]fluorene-2-carbonitrile
CID 171421536

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile?
The IUPAC name of 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile (CID 71140568) is 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile is N#Cc1cccc(-c2cncc(-c3nc(-c4cncc(-c5ccccn5)c4)nc(-c4cncc(-c5ccccn5)c4)n3)c2)c1.
What is the InChIKey of 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile?
The InChIKey is LORFTOPRUZGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N9/c36-16-23-6-5-7-24(12-23)25-13-28(20-37-17-25)33-42-34(29-14-26(18-38-21-29)31-8-1-3-10-40-31)44-35(43-33)30-15-27(19-39-22-30)32-9-2-4-11-41-32/h1-15,17-22H.
What are the key properties of 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile?
3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile has a molecular weight of 567.62 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4,6-bis(5-pyridin-2-yl-3-pyridinyl)-1,3,5-triazin-2-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 71140568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).