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

C38H27N5 — CID 165168249

IUPAC2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cn2)nc1
InChIInChI=1S/C38H27N5/c1-26-12-22-34(39-24-26)35-23-21-33(25-40-35)29-15-13-27(14-16-29)28-17-19-32(20-18-28)38-42-36(30-8-4-2-5-9-30)41-37(43-38)31-10-6-3-7-11-31/h2-25H,1H3
InChIKeyPJIBLCDWKPNOSO-UHFFFAOYSA-N
MW553.67 g/mol
LogP8.97
Rot. Bonds6

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

2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 165168249) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is 2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID165168249
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC Name2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cn2)nc1
InChIInChI=1S/C38H27N5/c1-26-12-22-34(39-24-26)35-23-21-33(25-40-35)29-15-13-27(14-16-29)28-17-19-32(20-18-28)38-42-36(30-8-4-2-5-9-30)41-37(43-38)31-10-6-3-7-11-31/h2-25H,1H3
InChIKeyPJIBLCDWKPNOSO-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-(5-methyl-2-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

2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715
2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine
CID 159313177
4-methyl-2-phenyl-6-(5-phenyl-2-pyridinyl)pyrimidine
CID 146568405
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-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
2-[4-[4-[6-(3-methyl-4-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168318
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-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 165168249) is 2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cn2)nc1.
What is the InChIKey of 2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PJIBLCDWKPNOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5/c1-26-12-22-34(39-24-26)35-23-21-33(25-40-35)29-15-13-27(14-16-29)28-17-19-32(20-18-28)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-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[4-[6-(5-methyl-2-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-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165168249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).