11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

C58H34N4S — CID 146374812

About 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole

11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 146374812) has the molecular formula C58H34N4S and a molecular weight of 819.00 g/mol. Its IUPAC name is 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
• PubChem CID: 146374812
• Molecular Formula: C58H34N4S
• Molecular Weight: 819.00 g/mol
• Exact Mass: 818.25
• IUPAC Name: 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
• SMILES: c1ccc2c(-n3c4ccccc4c4ccc5ccccc5c43)c3c4ccccc4n(-c4ccc(-c5nc6ccccc6nc5-c5cccc6sc7ccccc7c56)cc4)c3cc2c1
• InChI: InChI=1S/C58H34N4S/c1-3-16-39-35(14-1)30-33-42-41-18-5-10-24-48(41)62(57(39)42)58-40-17-4-2-15-37(40)34-50-54(58)43-19-6-11-25-49(43)61(50)38-31-28-36(29-32-38)55-56(60-47-23-9-8-22-46(47)59-55)45-21-13-27-52-53(45)44-20-7-12-26-51(44)63-52/h1-34H
• InChIKey: SBCRZOGOORZCCA-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 35.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.00
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?

The IUPAC name of 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole (CID 146374812) is 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole.

What is the SMILES notation for 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?

The canonical SMILES for 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is c1ccc2c(-n3c4ccccc4c4ccc5ccccc5c43)c3c4ccccc4n(-c4ccc(-c5nc6ccccc6nc5-c5cccc6sc7ccccc7c56)cc4)c3cc2c1.

What is the InChIKey of 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?

The InChIKey is SBCRZOGOORZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4S/c1-3-16-39-35(14-1)30-33-42-41-18-5-10-24-48(41)62(57(39)42)58-40-17-4-2-15-37(40)34-50-54(58)43-19-6-11-25-49(43)61(50)38-31-28-36(29-32-38)55-56(60-47-23-9-8-22-46(47)59-55)45-21-13-27-52-53(45)44-20-7-12-26-51(44)63-52/h1-34H.

What are the key properties of 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole?

11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 819.00 g/mol, XLogP of 15.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-benzo[a]carbazol-11-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146374812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).