2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine

C41H26ClN3 — CID 177076801

IUPAC2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)nc(-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)n1
InChIInChI=1S/C41H26ClN3/c42-41-44-39(30-19-17-29(18-20-30)37-15-7-6-14-35(37)27-9-2-1-3-10-27)43-40(45-41)34-24-22-31-25-33(23-21-32(31)26-34)38-16-8-12-28-11-4-5-13-36(28)38/h1-26H
InChIKeyCAQZDRFTUPBGKH-UHFFFAOYSA-N
MW596.13 g/mol
LogP11.17
Rot. Bonds5

About 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine

2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 177076801) has the molecular formula C41H26ClN3 and a molecular weight of 596.13 g/mol. Its IUPAC name is 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID177076801
Molecular FormulaC41H26ClN3
Molecular Weight596.13 g/mol
Exact Mass595.18
IUPAC Name2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)nc(-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)n1
InChIInChI=1S/C41H26ClN3/c42-41-44-39(30-19-17-29(18-20-30)37-15-7-6-14-35(37)27-9-2-1-3-10-27)43-40(45-41)34-24-22-31-25-33(23-21-32(31)26-34)38-16-8-12-28-11-4-5-13-36(28)38/h1-26H
InChIKeyCAQZDRFTUPBGKH-UHFFFAOYSA-N
XLogP11.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.13
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)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-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-anthracen-2-yl-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 171598261
2-[8-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244524
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-[2-(2-naphthalen-1-ylphenyl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076866
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 177076801) is 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine is Clc1nc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)nc(-c2ccc3cc(-c4cccc5ccccc45)ccc3c2)n1.
What is the InChIKey of 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is CAQZDRFTUPBGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26ClN3/c42-41-44-39(30-19-17-29(18-20-30)37-15-7-6-14-35(37)27-9-2-1-3-10-27)43-40(45-41)34-24-22-31-25-33(23-21-32(31)26-34)38-16-8-12-28-11-4-5-13-36(28)38/h1-26H.
What are the key properties of 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 596.13 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 177076801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).