6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

C49H30N4S — CID 134552694

About 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole

6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 134552694) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• PubChem CID: 134552694
• Molecular Formula: C49H30N4S
• Molecular Weight: 706.87 g/mol
• Exact Mass: 706.22
• IUPAC Name: 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc7sc8ccccc8c7c6)c54)cc3)n2)cc1
• InChI: InChI=1S/C49H30N4S/c1-3-13-31(14-4-1)47-50-48(32-15-5-2-6-16-32)52-49(51-47)33-23-26-36(27-24-33)53-42-21-11-9-19-38(42)41-29-34-17-7-8-18-37(34)45(46(41)53)35-25-28-44-40(30-35)39-20-10-12-22-43(39)54-44/h1-30H
• InChIKey: WJLYBVSKOODTOW-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.87
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The IUPAC name of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 134552694) is 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

What is the SMILES notation for 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The canonical SMILES for 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6c(-c6ccc7sc8ccccc8c7c6)c54)cc3)n2)cc1.

What is the InChIKey of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

The InChIKey is WJLYBVSKOODTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-3-13-31(14-4-1)47-50-48(32-15-5-2-6-16-32)52-49(51-47)33-23-26-36(27-24-33)53-42-21-11-9-19-38(42)41-29-34-17-7-8-18-37(34)45(46(41)53)35-25-28-44-40(30-35)39-20-10-12-22-43(39)54-44/h1-30H.

What are the key properties of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?

6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 706.87 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 134552694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).