2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C38H27N5 — CID 165168318

IUPAC2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cnccc1-c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cn1
InChIInChI=1S/C38H27N5/c1-26-24-39-23-22-34(26)35-21-20-33(25-40-35)29-14-12-27(13-15-29)28-16-18-32(19-17-28)38-42-36(30-8-4-2-5-9-30)41-37(43-38)31-10-6-3-7-11-31/h2-25H,1H3
InChIKeyJZLAJNYYBJJSCM-UHFFFAOYSA-N
MW553.67 g/mol
LogP8.97
Rot. Bonds6

About 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165168318) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165168318
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC Name2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cnccc1-c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cn1
InChIInChI=1S/C38H27N5/c1-26-24-39-23-22-34(26)35-21-20-33(25-40-35)29-14-12-27(13-15-29)28-16-18-32(19-17-28)38-42-36(30-8-4-2-5-9-30)41-37(43-38)31-10-6-3-7-11-31/h2-25H,1H3
InChIKeyJZLAJNYYBJJSCM-UHFFFAOYSA-N
XLogP8.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine 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-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168249
2-[4-[3-(3-methyl-4-pyridinyl)phenyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146587201
2-phenyl-4-(4-phenylphenyl)-6-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 134380944
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380773
4-methyl-2-phenyl-6-(5-phenyl-2-pyridinyl)pyrimidine
CID 146568405
2,4-diphenyl-6-[4-(5-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-3-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-4-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(6-pyridin-2-yl-3-pyridinyl)naphthalen-1-yl]-1,3,5-triazine
CID 162259732
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
2-[9,9-dimethyl-6-(6-pyridin-3-yl-3-pyridinyl)fluoren-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134380834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 165168318) is 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cnccc1-c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)cn1.
What is the InChIKey of 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JZLAJNYYBJJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-26-24-39-23-22-34(26)35-21-20-33(25-40-35)29-14-12-27(13-15-29)28-16-18-32(19-17-28)38-42-36(30-8-4-2-5-9-30)41-37(43-38)31-10-6-3-7-11-31/h2-25H,1H3.
What are the key properties of 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 553.67 g/mol, XLogP of 8.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165168318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).