11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole

C122H73N9S — CID 161309106

About 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole

11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 161309106) has the molecular formula C122H73N9S and a molecular weight of 1697.06 g/mol. Its IUPAC name is 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 161309106
• Molecular Formula: C122H73N9S
• Molecular Weight: 1697.06 g/mol
• Exact Mass: 1695.57
• IUPAC Name: 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-c4cccc(-n5c6ccccc6c6c(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7cc65)c4)cccc32)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3nc2-c2cccc3sc4ccccc4c23)cc1
• InChI: InChI=1S/C64H39N5.C58H34N4S/c1-2-22-44(23-3-1)67-55-33-14-9-27-48(55)60-50(29-17-35-57(60)67)63-62(65-52-30-11-12-31-53(52)66-63)43-21-16-24-45(36-43)68-56-34-15-10-28-49(56)61-59(68)39-42-20-6-7-25-46(42)64(61)69-54-32-13-8-26-47(54)51-37-40-18-4-5-19-41(40)38-58(51)69;1-2-15-37-33-50-45(32-36(37)14-1)41-18-5-10-24-48(41)62(50)58-40-17-4-3-16-38(40)34-51-55(58)42-19-6-11-25-49(42)61(51)39-30-28-35(29-31-39)56-57(60-47-23-9-8-22-46(47)59-56)44-21-13-27-53-54(44)43-20-7-12-26-52(43)63-53/h1-39H;1-34H
• InChIKey: VIQMDEVGVRXRCR-UHFFFAOYSA-N
• XLogP: 32.39
• TPSA: 76.21 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1697.06
LogP ≤ 5	32.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole?

The IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole (CID 161309106) is 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole.

What is the SMILES notation for 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole?

The canonical SMILES for 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc5ccccc5nc4-c4cccc(-n5c6ccccc6c6c(-n7c8ccccc8c8cc9ccccc9cc87)c7ccccc7cc65)c4)cccc32)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1c2ccccc2cc2c1c1ccccc1n2-c1ccc(-c2nc3ccccc3nc2-c2cccc3sc4ccccc4c23)cc1.

What is the InChIKey of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole?

The InChIKey is VIQMDEVGVRXRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5.C58H34N4S/c1-2-22-44(23-3-1)67-55-33-14-9-27-48(55)60-50(29-17-35-57(60)67)63-62(65-52-30-11-12-31-53(52)66-63)43-21-16-24-45(36-43)68-56-34-15-10-28-49(56)61-59(68)39-42-20-6-7-25-46(42)64(61)69-54-32-13-8-26-47(54)51-37-40-18-4-5-19-41(40)38-58(51)69;1-2-15-37-33-50-45(32-36(37)14-1)41-18-5-10-24-48(41)62(50)58-40-17-4-3-16-38(40)34-51-55(58)42-19-6-11-25-49(42)61(51)39-30-28-35(29-31-39)56-57(60-47-23-9-8-22-46(47)59-56)44-21-13-27-53-54(44)43-20-7-12-26-52(43)63-53/h1-39H;1-34H.

What are the key properties of 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole?

11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 1697.06 g/mol, XLogP of 32.39, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11-benzo[b]carbazol-5-yl-5-[4-(3-dibenzothiophen-1-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole;11-benzo[b]carbazol-5-yl-5-[3-[3-(9-phenylcarbazol-4-yl)quinoxalin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 161309106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).