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

C37H24ClN3 — CID 166022207

IUPAC2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)n1
InChIInChI=1S/C37H24ClN3/c38-37-40-35(28-16-14-27(15-17-28)25-8-3-1-4-9-25)39-36(41-37)34-13-7-12-29(24-34)31-20-21-32-22-30(18-19-33(32)23-31)26-10-5-2-6-11-26/h1-24H
InChIKeyNQNDDBUZKZCEHA-UHFFFAOYSA-N
MW546.07 g/mol
LogP10.01
Rot. Bonds5

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

2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166022207) has the molecular formula C37H24ClN3 and a molecular weight of 546.07 g/mol. Its IUPAC name is 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID166022207
Molecular FormulaC37H24ClN3
Molecular Weight546.07 g/mol
Exact Mass545.17
IUPAC Name2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)n1
InChIInChI=1S/C37H24ClN3/c38-37-40-35(28-16-14-27(15-17-28)25-8-3-1-4-9-25)39-36(41-37)34-13-7-12-29(24-34)31-20-21-32-22-30(18-19-33(32)23-31)26-10-5-2-6-11-26/h1-24H
InChIKeyNQNDDBUZKZCEHA-UHFFFAOYSA-N
XLogP10.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.07
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154696620
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 166022207) is 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c2)n1.
What is the InChIKey of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is NQNDDBUZKZCEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24ClN3/c38-37-40-35(28-16-14-27(15-17-28)25-8-3-1-4-9-25)39-36(41-37)34-13-7-12-29(24-34)31-20-21-32-22-30(18-19-33(32)23-31)26-10-5-2-6-11-26/h1-24H.
What are the key properties of 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 546.07 g/mol, XLogP of 10.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166022207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).