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

C42H28N4 — CID 165168264

IUPAC2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc5ccccc45)c3)n2)cc1
InChIInChI=1S/C42H28N4/c1-3-12-29(13-4-1)40-44-41(30-14-5-2-6-15-30)46-42(45-40)35-20-10-19-34(25-35)39-27-37(26-33-16-7-8-22-38(33)39)32-18-9-17-31(24-32)36-21-11-23-43-28-36/h1-28H
InChIKeyFJHWFBZZJXFYTK-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.42
Rot. Bonds6

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

2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 165168264) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
PubChem CID165168264
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc5ccccc45)c3)n2)cc1
InChIInChI=1S/C42H28N4/c1-3-12-29(13-4-1)40-44-41(30-14-5-2-6-15-30)46-42(45-40)35-20-10-19-34(25-35)39-27-37(26-33-16-7-8-22-38(33)39)32-18-9-17-31(24-32)36-21-11-23-43-28-36/h1-28H
InChIKeyFJHWFBZZJXFYTK-UHFFFAOYSA-N
XLogP10.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-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-diphenyl-6-[3-(4-pyridin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 167604835
2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 165168371
2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 118952098
2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-(3-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 167541800
4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine
CID 146382700
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730881
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730921
2-(4-naphthalen-1-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730897
2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466231
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine (CID 165168264) is 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-c6cccnc6)c5)cc5ccccc45)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is FJHWFBZZJXFYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-3-12-29(13-4-1)40-44-41(30-14-5-2-6-15-30)46-42(45-40)35-20-10-19-34(25-35)39-27-37(26-33-16-7-8-22-38(33)39)32-18-9-17-31(24-32)36-21-11-23-43-28-36/h1-28H.
What are the key properties of 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 588.71 g/mol, XLogP of 10.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 165168264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).