11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole

C130H80N8OS — CID 162265555

About 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole

11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole (PubChem CID 162265555) has the molecular formula C130H80N8OS and a molecular weight of 1802.19 g/mol. Its IUPAC name is 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole
• PubChem CID: 162265555
• Molecular Formula: C130H80N8OS
• Molecular Weight: 1802.19 g/mol
• Exact Mass: 1800.62
• IUPAC Name: 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c(-c5ccc6sc7ccccc7c6c5)c34)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(-c8ccc9oc%10ccccc%10c9c8)c8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)ccc32)cc1
• InChI: InChI=1S/C68H42N4S.C62H38N4O/c1-3-16-43(17-4-1)44-18-15-21-49(38-44)71-62-27-12-13-28-63(62)72-64-41-46(30-34-54(64)67(68(71)72)47-32-37-66-57(40-47)53-24-9-14-29-65(53)73-66)45-31-35-60-55(39-45)51-22-7-11-26-59(51)70(60)50-33-36-61-56(42-50)52-23-8-10-25-58(52)69(61)48-19-5-2-6-20-48;1-3-15-42(16-4-1)63-52-22-10-8-20-46(52)50-38-44(30-33-55(50)63)64-53-23-11-7-19-45(53)49-35-39(28-32-54(49)64)40-27-31-48-58(37-40)66-57-25-13-12-24-56(57)65(43-17-5-2-6-18-43)62(66)61(48)41-29-34-60-51(36-41)47-21-9-14-26-59(47)67-60/h1-42H;1-38H
• InChIKey: ZZVXLUMTTJIUQU-UHFFFAOYSA-N
• XLogP: 35.06
• TPSA: 51.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.19
LogP ≤ 5	35.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole?

The IUPAC name of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole (CID 162265555) is 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole.

What is the SMILES notation for 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole?

The canonical SMILES for 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole is c1ccc(-c2cccc(-n3c4ccccc4n4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5c(-c5ccc6sc7ccccc7c6c5)c34)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(-c8ccc9oc%10ccccc%10c9c8)c8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)ccc32)cc1.

What is the InChIKey of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole?

The InChIKey is ZZVXLUMTTJIUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N4S.C62H38N4O/c1-3-16-43(17-4-1)44-18-15-21-49(38-44)71-62-27-12-13-28-63(62)72-64-41-46(30-34-54(64)67(68(71)72)47-32-37-66-57(40-47)53-24-9-14-29-65(53)73-66)45-31-35-60-55(39-45)51-22-7-11-26-59(51)70(60)50-33-36-61-56(42-50)52-23-8-10-25-58(52)69(61)48-19-5-2-6-20-48;1-3-15-42(16-4-1)63-52-22-10-8-20-46(52)50-38-44(30-33-55(50)63)64-53-23-11-7-19-45(53)49-35-39(28-32-54(49)64)40-27-31-48-58(37-40)66-57-25-13-12-24-56(57)65(43-17-5-2-6-18-43)62(66)61(48)41-29-34-60-51(36-41)47-21-9-14-26-59(47)67-60/h1-42H;1-38H.

What are the key properties of 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole?

11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole has a molecular weight of 1802.19 g/mol, XLogP of 35.06, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole is sourced from PubChem (CID 162265555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).