2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine

C37H20ClN3S2 — CID 155040137

IUPAC2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2sc3ccccc3c12
InChIInChI=1S/C37H20ClN3S2/c38-29-18-17-28(34-33(29)27-10-4-6-12-31(27)43-34)37-40-35(23-14-13-21-7-1-2-8-22(21)19-23)39-36(41-37)24-15-16-26-25-9-3-5-11-30(25)42-32(26)20-24/h1-20H
InChIKeyJZSYBMCVLKAJGG-UHFFFAOYSA-N
MW606.18 g/mol
LogP11.41
Rot. Bonds3

About 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine

2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 155040137) has the molecular formula C37H20ClN3S2 and a molecular weight of 606.18 g/mol. Its IUPAC name is 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID155040137
Molecular FormulaC37H20ClN3S2
Molecular Weight606.18 g/mol
Exact Mass605.08
IUPAC Name2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2sc3ccccc3c12
InChIInChI=1S/C37H20ClN3S2/c38-29-18-17-28(34-33(29)27-10-4-6-12-31(27)43-34)37-40-35(23-14-13-21-7-1-2-8-22(21)19-23)39-36(41-37)24-15-16-26-25-9-3-5-11-30(25)42-32(26)20-24/h1-20H
InChIKeyJZSYBMCVLKAJGG-UHFFFAOYSA-N
XLogP11.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.18
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-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-(3-chlorodibenzothiophen-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 155040144
2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 163715789
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041
2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 155430745
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[4-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-[4-[6-(4-dibenzothiophen-1-ylphenyl)naphthalen-2-yl]phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[6-(4-dibenzothiophen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167568072
2-dibenzothiophen-3-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587942
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazine
CID 171757171
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199239

Frequently Asked Questions

What is the IUPAC name of 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 155040137) is 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2sc3ccccc3c12.
What is the InChIKey of 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is JZSYBMCVLKAJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20ClN3S2/c38-29-18-17-28(34-33(29)27-10-4-6-12-31(27)43-34)37-40-35(23-14-13-21-7-1-2-8-22(21)19-23)39-36(41-37)24-15-16-26-25-9-3-5-11-30(25)42-32(26)20-24/h1-20H.
What are the key properties of 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 606.18 g/mol, XLogP of 11.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chlorodibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 155040137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).