9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole

C104H58N8S2 — CID 166846223

About 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole

9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole (PubChem CID 166846223) has the molecular formula C104H58N8S2 and a molecular weight of 1483.80 g/mol. Its IUPAC name is 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole
• PubChem CID: 166846223
• Molecular Formula: C104H58N8S2
• Molecular Weight: 1483.80 g/mol
• Exact Mass: 1482.42
• IUPAC Name: 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole
• SMILES: c1ccc2c(c1)ccc1c2c2ccc(-c3ccc4nc(-n5c6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6c6c7ccccc7ccc65)c(-c5cccc6c5sc5ccccc56)nc4c3)cc2n1-c1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc2c(c1)sc1ccccc12
• InChI: InChI=1S/C104H58N8S2/c1-5-22-68-59(18-1)40-49-89-96(68)78-47-37-64(55-92(78)109(89)66-43-52-87-80(57-66)97-69-23-6-2-19-60(69)41-50-90(97)111(87)103-99(105-82-31-12-13-32-83(82)107-103)65-38-45-75-73-27-10-15-34-93(73)113-95(75)56-65)63-39-48-84-85(54-63)106-100(79-30-17-29-77-74-28-11-16-35-94(74)114-102(77)79)104(108-84)112-88-53-44-67(58-81(88)98-70-24-7-3-20-61(70)42-51-91(98)112)110-86-33-14-9-26-72(86)76-46-36-62-21-4-8-25-71(62)101(76)110/h1-58H
• InChIKey: YGUFNKOAUDNXTR-UHFFFAOYSA-N
• XLogP: 28.31
• TPSA: 71.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.80
LogP ≤ 5	28.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole?

The IUPAC name of 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole (CID 166846223) is 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole.

What is the SMILES notation for 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole?

The canonical SMILES for 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole is c1ccc2c(c1)ccc1c2c2ccc(-c3ccc4nc(-n5c6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6c6c7ccccc7ccc65)c(-c5cccc6c5sc5ccccc56)nc4c3)cc2n1-c1ccc2c(c1)c1c3ccccc3ccc1n2-c1nc2ccccc2nc1-c1ccc2c(c1)sc1ccccc12.

What is the InChIKey of 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole?

The InChIKey is YGUFNKOAUDNXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H58N8S2/c1-5-22-68-59(18-1)40-49-89-96(68)78-47-37-64(55-92(78)109(89)66-43-52-87-80(57-66)97-69-23-6-2-19-60(69)41-50-90(97)111(87)103-99(105-82-31-12-13-32-83(82)107-103)65-38-45-75-73-27-10-15-34-93(73)113-95(75)56-65)63-39-48-84-85(54-63)106-100(79-30-17-29-77-74-28-11-16-35-94(74)114-102(77)79)104(108-84)112-88-53-44-67(58-81(88)98-70-24-7-3-20-61(70)42-51-91(98)112)110-86-33-14-9-26-72(86)76-46-36-62-21-4-8-25-71(62)101(76)110/h1-58H.

What are the key properties of 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole?

9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole has a molecular weight of 1483.80 g/mol, XLogP of 28.31, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(10-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)-3-dibenzothiophen-4-ylquinoxalin-6-yl]-7-[7-(3-dibenzothiophen-3-ylquinoxalin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole is sourced from PubChem (CID 166846223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).