Skip to content

4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

C43H26N6S — CID 139551093

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nc(-c6ccccc6)nc5c4c3)n2)cc1
InChIInChI=1S/C43H26N6S/c1-4-14-27(15-5-1)39-44-37-33-26-30(42-46-40(28-16-6-2-7-17-28)45-41(47-42)29-18-8-3-9-19-29)24-25-36(33)50-38(37)43(48-39)49-34-22-12-10-20-31(34)32-21-11-13-23-35(32)49/h1-26H
InChIKeyUGCMGZRKXUDKOX-UHFFFAOYSA-N
MW658.79 g/mol
LogP10.79
Rot. Bonds5

About 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine

4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 139551093) has the molecular formula C43H26N6S and a molecular weight of 658.79 g/mol. Its IUPAC name is 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID139551093
Molecular FormulaC43H26N6S
Molecular Weight658.79 g/mol
Exact Mass658.19
IUPAC Name4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nc(-c6ccccc6)nc5c4c3)n2)cc1
InChIInChI=1S/C43H26N6S/c1-4-14-27(15-5-1)39-44-37-33-26-30(42-46-40(28-16-6-2-7-17-28)45-41(47-42)29-18-8-3-9-19-29)24-25-36(33)50-38(37)43(48-39)49-34-22-12-10-20-31(34)32-21-11-13-23-35(32)49/h1-26H
InChIKeyUGCMGZRKXUDKOX-UHFFFAOYSA-N
XLogP10.79
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.79
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 139551093) is 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5c(-n6c7ccccc7c7ccccc76)nc(-c6ccccc6)nc5c4c3)n2)cc1.
What is the InChIKey of 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is UGCMGZRKXUDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N6S/c1-4-14-27(15-5-1)39-44-37-33-26-30(42-46-40(28-16-6-2-7-17-28)45-41(47-42)29-18-8-3-9-19-29)24-25-36(33)50-38(37)43(48-39)49-34-22-12-10-20-31(34)32-21-11-13-23-35(32)49/h1-26H.
What are the key properties of 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine?
4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 658.79 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 139551093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.