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

C42H28N6 — CID 164817157

IUPAC2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccn3)c2)cc1
InChIInChI=1S/C42H28N6/c1-4-12-29(13-5-1)35-27-38(36-18-10-11-24-43-36)45-39(28-35)37-26-34(23-25-44-37)30-19-21-33(22-20-30)42-47-40(31-14-6-2-7-15-31)46-41(48-42)32-16-8-3-9-17-32/h1-28H
InChIKeyGSOLLIMRPLLFKJ-UHFFFAOYSA-N
MW616.73 g/mol
LogP9.73
Rot. Bonds7

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

2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine (PubChem CID 164817157) has the molecular formula C42H28N6 and a molecular weight of 616.73 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
PubChem CID164817157
Molecular FormulaC42H28N6
Molecular Weight616.73 g/mol
Exact Mass616.24
IUPAC Name2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccn3)c2)cc1
InChIInChI=1S/C42H28N6/c1-4-12-29(13-5-1)35-27-38(36-18-10-11-24-43-36)45-39(28-35)37-26-34(23-25-44-37)30-19-21-33(22-20-30)42-47-40(31-14-6-2-7-15-31)46-41(48-42)32-16-8-3-9-17-32/h1-28H
InChIKeyGSOLLIMRPLLFKJ-UHFFFAOYSA-N
XLogP9.73
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.73
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165107682
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-[2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenylpyrimidine
CID 164816888
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2-[2-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 165008995
2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
2,4-diphenyl-6-[2-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 163762426
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
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
2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 164817190

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine (CID 164817157) is 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccn3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine?
The InChIKey is GSOLLIMRPLLFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6/c1-4-12-29(13-5-1)35-27-38(36-18-10-11-24-43-36)45-39(28-35)37-26-34(23-25-44-37)30-19-21-33(22-20-30)42-47-40(31-14-6-2-7-15-31)46-41(48-42)32-16-8-3-9-17-32/h1-28H.
What are the key properties of 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine has a molecular weight of 616.73 g/mol, XLogP of 9.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 164817157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).