2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

C35H22ClN3 — CID 169302466

IUPAC2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)nc(-c2cc(-c3ccccc3)c3ccccc3c2)n1
InChIInChI=1S/C35H22ClN3/c36-35-38-33(29-18-17-26-19-25(15-16-27(26)20-29)23-9-3-1-4-10-23)37-34(39-35)30-21-28-13-7-8-14-31(28)32(22-30)24-11-5-2-6-12-24/h1-22H
InChIKeyISSFZIDVQJDNCN-UHFFFAOYSA-N
MW520.04 g/mol
LogP9.50
Rot. Bonds4

About 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 169302466) has the molecular formula C35H22ClN3 and a molecular weight of 520.04 g/mol. Its IUPAC name is 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID169302466
Molecular FormulaC35H22ClN3
Molecular Weight520.04 g/mol
Exact Mass519.15
IUPAC Name2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)nc(-c2cc(-c3ccccc3)c3ccccc3c2)n1
InChIInChI=1S/C35H22ClN3/c36-35-38-33(29-18-17-26-19-25(15-16-27(26)20-29)23-9-3-1-4-10-23)37-34(39-35)30-21-28-13-7-8-14-31(28)32(22-30)24-11-5-2-6-12-24/h1-22H
InChIKeyISSFZIDVQJDNCN-UHFFFAOYSA-N
XLogP9.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.04
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278748
2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633
2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730921
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164745875
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730881
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 165038702
2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 170691035
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164745860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 169302466) is 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is Clc1nc(-c2ccc3cc(-c4ccccc4)ccc3c2)nc(-c2cc(-c3ccccc3)c3ccccc3c2)n1.
What is the InChIKey of 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is ISSFZIDVQJDNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22ClN3/c36-35-38-33(29-18-17-26-19-25(15-16-27(26)20-29)23-9-3-1-4-10-23)37-34(39-35)30-21-28-13-7-8-14-31(28)32(22-30)24-11-5-2-6-12-24/h1-22H.
What are the key properties of 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 520.04 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 169302466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).