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

C41H26ClN3 — CID 177278821

IUPAC2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccc3cccc(-c4ccc(-c5ccccc5)cc4)c3c2)nc(-c2cccc3c(-c4ccccc4)cccc23)n1
InChIInChI=1S/C41H26ClN3/c42-41-44-39(43-40(45-41)37-19-9-17-35-33(16-8-18-36(35)37)29-12-5-2-6-13-29)32-25-24-30-14-7-15-34(38(30)26-32)31-22-20-28(21-23-31)27-10-3-1-4-11-27/h1-26H
InChIKeyPASQCHYODMOEGT-UHFFFAOYSA-N
MW596.13 g/mol
LogP11.17
Rot. Bonds5

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

2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 177278821) has the molecular formula C41H26ClN3 and a molecular weight of 596.13 g/mol. Its IUPAC name is 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID177278821
Molecular FormulaC41H26ClN3
Molecular Weight596.13 g/mol
Exact Mass595.18
IUPAC Name2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccc3cccc(-c4ccc(-c5ccccc5)cc4)c3c2)nc(-c2cccc3c(-c4ccccc4)cccc23)n1
InChIInChI=1S/C41H26ClN3/c42-41-44-39(43-40(45-41)37-19-9-17-35-33(16-8-18-36(35)37)29-12-5-2-6-13-29)32-25-24-30-14-7-15-34(38(30)26-32)31-22-20-28(21-23-31)27-10-3-1-4-11-27/h1-26H
InChIKeyPASQCHYODMOEGT-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

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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-chloro-4-phenyl-6-[6-(8-phenylnaphthalen-2-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 138519314
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-chloro-4-dibenzothiophen-1-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845129
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine (CID 177278821) is 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine is Clc1nc(-c2ccc3cccc(-c4ccc(-c5ccccc5)cc4)c3c2)nc(-c2cccc3c(-c4ccccc4)cccc23)n1.
What is the InChIKey of 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is PASQCHYODMOEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26ClN3/c42-41-44-39(43-40(45-41)37-19-9-17-35-33(16-8-18-36(35)37)29-12-5-2-6-13-29)32-25-24-30-14-7-15-34(38(30)26-32)31-22-20-28(21-23-31)27-10-3-1-4-11-27/h1-26H.
What are the key properties of 2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-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-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 177278821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).