2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

C35H22ClN3 — CID 155450656

IUPAC2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C35H22ClN3/c36-31-21-20-30(32-28(16-9-17-29(31)32)24-11-3-1-4-12-24)35-38-33(25-13-5-2-6-14-25)37-34(39-35)27-19-18-23-10-7-8-15-26(23)22-27/h1-22H
InChIKeyTVYANNYLFADADR-UHFFFAOYSA-N
MW520.04 g/mol
LogP9.50
Rot. Bonds4

About 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine

2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 155450656) has the molecular formula C35H22ClN3 and a molecular weight of 520.04 g/mol. Its IUPAC name is 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID155450656
Molecular FormulaC35H22ClN3
Molecular Weight520.04 g/mol
Exact Mass519.15
IUPAC Name2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C35H22ClN3/c36-31-21-20-30(32-28(16-9-17-29(31)32)24-11-3-1-4-12-24)35-38-33(25-13-5-2-6-14-25)37-34(39-35)27-19-18-23-10-7-8-15-26(23)22-27/h1-22H
InChIKeyTVYANNYLFADADR-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-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
2-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157471965
2-[3-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165012434

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine (CID 155450656) is 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2c(-c3ccccc3)cccc12.
What is the InChIKey of 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is TVYANNYLFADADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22ClN3/c36-31-21-20-30(32-28(16-9-17-29(31)32)24-11-3-1-4-12-24)35-38-33(25-13-5-2-6-14-25)37-34(39-35)27-19-18-23-10-7-8-15-26(23)22-27/h1-22H.
What are the key properties of 2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine?
2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-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-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155450656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).