9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C144H89N11S — CID 160994373

About 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 160994373) has the molecular formula C144H89N11S and a molecular weight of 2005.44 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 160994373
• Molecular Formula: C144H89N11S
• Molecular Weight: 2005.44 g/mol
• Exact Mass: 2003.70
• IUPAC Name: 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc7c(cc6c6c8ccccc8ccc65)c5ccccc5n7-c5ccccc5)ccc4n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4ccccc4n6-c4ccccc4)ccc3n2)cc1.c1ccc2c(c1)ccc1c2c2ccc(-c3cccc4c3sc3ccccc34)cc2n1-c1ccc2nccnc2c1
• InChI: InChI=1S/C60H38N4.C48H30N4.C36H21N3S/c1-4-15-39(16-5-1)41-27-29-43(30-28-41)60-61-53-33-32-47(36-51(53)59(62-60)45-21-14-20-44(35-45)40-17-6-2-7-18-40)64-55-34-31-42-19-10-11-24-48(42)58(55)52-37-50-49-25-12-13-26-54(49)63(56(50)38-57(52)64)46-22-8-3-9-23-46;1-4-15-32(16-5-1)47-39-28-35(25-26-41(39)49-48(50-47)33-17-6-2-7-18-33)52-43-27-24-31-14-10-11-21-36(31)46(43)40-29-38-37-22-12-13-23-42(37)51(44(38)30-45(40)52)34-19-8-3-9-20-34;1-2-7-25-22(6-1)13-17-32-35(25)29-15-12-23(26-9-5-10-28-27-8-3-4-11-34(27)40-36(26)28)20-33(29)39(32)24-14-16-30-31(21-24)38-19-18-37-30/h1-38H;1-30H;1-21H
• InChIKey: TVAZGALQMMXMBO-UHFFFAOYSA-N
• XLogP: 37.87
• TPSA: 101.99 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2005.44
LogP ≤ 5	37.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 160994373) is 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc7c(cc6c6c8ccccc8ccc65)c5ccccc5n7-c5ccccc5)ccc4n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5cc6c(cc5c5c7ccccc7ccc54)c4ccccc4n6-c4ccccc4)ccc3n2)cc1.c1ccc2c(c1)ccc1c2c2ccc(-c3cccc4c3sc3ccccc34)cc2n1-c1ccc2nccnc2c1.

What is the InChIKey of 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is TVAZGALQMMXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4.C48H30N4.C36H21N3S/c1-4-15-39(16-5-1)41-27-29-43(30-28-41)60-61-53-33-32-47(36-51(53)59(62-60)45-21-14-20-44(35-45)40-17-6-2-7-18-40)64-55-34-31-42-19-10-11-24-48(42)58(55)52-37-50-49-25-12-13-26-54(49)63(56(50)38-57(52)64)46-22-8-3-9-23-46;1-4-15-32(16-5-1)47-39-28-35(25-26-41(39)49-48(50-47)33-17-6-2-7-18-33)52-43-27-24-31-14-10-11-21-36(31)46(43)40-29-38-37-22-12-13-23-42(37)51(44(38)30-45(40)52)34-19-8-3-9-20-34;1-2-7-25-22(6-1)13-17-32-35(25)29-15-12-23(26-9-5-10-28-27-8-3-4-11-34(27)40-36(26)28)20-33(29)39(32)24-14-16-30-31(21-24)38-19-18-37-30/h1-38H;1-30H;1-21H.

What are the key properties of 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 2005.44 g/mol, XLogP of 37.87, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 160994373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).