2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C41H24ClN3S — CID 168845132

IUPAC2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccc(-c5ccccc5)cc4c3)c2)nc(-c2ccc3sc4c5ccccc5ccc4c3c2)n1
InChIInChI=1S/C41H24ClN3S/c42-41-44-39(43-40(45-41)32-18-20-37-36(24-32)35-19-17-27-9-4-5-12-34(27)38(35)46-37)31-11-6-10-28(21-31)30-16-14-26-13-15-29(22-33(26)23-30)25-7-2-1-3-8-25/h1-24H
InChIKeyKKCIRAKVJAZPQG-UHFFFAOYSA-N
MW626.18 g/mol
LogP11.87
Rot. Bonds4

About 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 168845132) has the molecular formula C41H24ClN3S and a molecular weight of 626.18 g/mol. Its IUPAC name is 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID168845132
Molecular FormulaC41H24ClN3S
Molecular Weight626.18 g/mol
Exact Mass625.14
IUPAC Name2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccc(-c5ccccc5)cc4c3)c2)nc(-c2ccc3sc4c5ccccc5ccc4c3c2)n1
InChIInChI=1S/C41H24ClN3S/c42-41-44-39(43-40(45-41)32-18-20-37-36(24-32)35-19-17-27-9-4-5-12-34(27)38(35)46-37)31-11-6-10-28(21-31)30-16-14-26-13-15-29(22-33(26)23-30)25-7-2-1-3-8-25/h1-24H
InChIKeyKKCIRAKVJAZPQG-UHFFFAOYSA-N
XLogP11.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.18
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-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-chloro-4-dibenzothiophen-3-yl-6-[3-(7-phenanthren-3-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845068
8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole
CID 166918289
2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
CID 138519538
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
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-naphthalen-1-yl-6-[7-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442042
2-(6-chlorodibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 139440424
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
2-(3-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176853898
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 168845132) is 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccc4ccc(-c5ccccc5)cc4c3)c2)nc(-c2ccc3sc4c5ccccc5ccc4c3c2)n1.
What is the InChIKey of 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is KKCIRAKVJAZPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24ClN3S/c42-41-44-39(43-40(45-41)32-18-20-37-36(24-32)35-19-17-27-9-4-5-12-34(27)38(35)46-37)31-11-6-10-28(21-31)30-16-14-26-13-15-29(22-33(26)23-30)25-7-2-1-3-8-25/h1-24H.
What are the key properties of 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 626.18 g/mol, XLogP of 11.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168845132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).