6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine

C50H30N6S — CID 146572879

About 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine

6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 146572879) has the molecular formula C50H30N6S and a molecular weight of 746.90 g/mol. Its IUPAC name is 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
• PubChem CID: 146572879
• Molecular Formula: C50H30N6S
• Molecular Weight: 746.90 g/mol
• Exact Mass: 746.23
• IUPAC Name: 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3cnc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)n2)cc1
• InChI: InChI=1S/C50H30N6S/c1-3-13-31(14-4-1)47-52-48(32-15-5-2-6-16-32)54-49(53-47)33-23-25-45-39(27-33)38-19-9-12-22-44(38)56(45)35-29-41-40-28-34(24-26-46(40)57-50(41)51-30-35)55-42-20-10-7-17-36(42)37-18-8-11-21-43(37)55/h1-30H
• InChIKey: ZASVLWCEEPKUFF-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 61.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.90
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine?

The IUPAC name of 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine (CID 146572879) is 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine.

What is the SMILES notation for 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine?

The canonical SMILES for 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3cnc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)n2)cc1.

What is the InChIKey of 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine?

The InChIKey is ZASVLWCEEPKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N6S/c1-3-13-31(14-4-1)47-52-48(32-15-5-2-6-16-32)54-49(53-47)33-23-25-45-39(27-33)38-19-9-12-22-44(38)56(45)35-29-41-40-28-34(24-26-46(40)57-50(41)51-30-35)55-42-20-10-7-17-36(42)37-18-8-11-21-43(37)55/h1-30H.

What are the key properties of 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine?

6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 746.90 g/mol, XLogP of 12.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 146572879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).