2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole

C42H24N4S2 — CID 171411374

IUPAC2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4nc5c(ccc6sc7ccccc7c65)s4)c4ccccc4c3)n2)cc1
InChIInChI=1S/C42H24N4S2/c1-2-11-26(12-3-1)39-44-40(29-19-18-25-10-4-5-13-27(25)22-29)46-41(45-39)30-23-28-14-6-7-15-31(28)33(24-30)42-43-38-36(48-42)21-20-35-37(38)32-16-8-9-17-34(32)47-35/h1-24H
InChIKeyZUHINNQJPKXQGH-UHFFFAOYSA-N
MW648.82 g/mol
LogP11.82
Rot. Bonds4

About 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole

2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole (PubChem CID 171411374) has the molecular formula C42H24N4S2 and a molecular weight of 648.82 g/mol. Its IUPAC name is 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
PubChem CID171411374
Molecular FormulaC42H24N4S2
Molecular Weight648.82 g/mol
Exact Mass648.14
IUPAC Name2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4nc5c(ccc6sc7ccccc7c65)s4)c4ccccc4c3)n2)cc1
InChIInChI=1S/C42H24N4S2/c1-2-11-26(12-3-1)39-44-40(29-19-18-25-10-4-5-13-27(25)22-29)46-41(45-39)30-23-28-14-6-7-15-31(28)33(24-30)42-43-38-36(48-42)21-20-35-37(38)32-16-8-9-17-34(32)47-35/h1-24H
InChIKeyZUHINNQJPKXQGH-UHFFFAOYSA-N
XLogP11.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.82
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole 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-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411710
2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(5-dibenzothiophen-2-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165010752
2-naphtho[2,1-b][1]benzothiol-3-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 155473967
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163574454
2,4-dinaphthalen-1-yl-6-naphtho[2,1-b][1]benzothiol-2-yl-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-4-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,1-b][1]benzothiol-3-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,1-b][1]benzothiol-1-yl-6-phenyl-1,3,5-triazine
CID 159219658

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole (CID 171411374) is 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4nc5c(ccc6sc7ccccc7c65)s4)c4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The InChIKey is ZUHINNQJPKXQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4S2/c1-2-11-26(12-3-1)39-44-40(29-19-18-25-10-4-5-13-27(25)22-29)46-41(45-39)30-23-28-14-6-7-15-31(28)33(24-30)42-43-38-36(48-42)21-20-35-37(38)32-16-8-9-17-34(32)47-35/h1-24H.
What are the key properties of 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole?
2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole has a molecular weight of 648.82 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 171411374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).