3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)

C200H131N7OS6 — CID 160782954

About 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)

3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole) (PubChem CID 160782954) has the molecular formula C200H131N7OS6 and a molecular weight of 2840.70 g/mol. Its IUPAC name is 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole).

Molecular Properties

• Compound Name: 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)
• PubChem CID: 160782954
• Molecular Formula: C200H131N7OS6
• Molecular Weight: 2840.70 g/mol
• Exact Mass: 2837.87
• IUPAC Name: 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)
• SMILES: CC(C)(C)c1ccc2c(c1)c1ccc3c4ccccc4sc3c1n2-c1ccccc1.Cc1ccc2c(c1)c1ccc3c4ccccc4sc3c1n2-c1ccccc1.Cc1ccc2c(c1)c1ccc3c4ccccc4sc3c1n2-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)c2)cc1.c1ccc2c(c1)ccc1c2c2ccc3c4ccccc4sc3c2n1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.c1ccc2c(c1)ccc1c2c2ccc3c4ccccc4sc3c2n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C42H27NS.C40H24N2S.C40H23NOS.C28H23NS.2C25H17NS/c1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-23-24-38-36-16-8-10-18-40(36)44-42(38)41(37)43;1-2-10-28-25(9-1)17-24-36-38(28)33-23-22-32-31-13-5-8-16-37(31)43-40(32)39(33)42(36)27-20-18-26(19-21-27)41-34-14-6-3-11-29(34)30-12-4-7-15-35(30)41;1-2-8-28-25(7-1)15-21-34-38(28)32-20-19-31-30-10-4-6-12-37(30)43-40(31)39(32)41(34)27-17-13-24(14-18-27)26-16-22-36-33(23-26)29-9-3-5-11-35(29)42-36;1-28(2,3)18-13-16-24-23(17-18)21-14-15-22-20-11-7-8-12-25(20)30-27(22)26(21)29(24)19-9-5-4-6-10-19;2*1-16-11-14-22-21(15-16)19-12-13-20-18-9-5-6-10-23(18)27-25(20)24(19)26(22)17-7-3-2-4-8-17/h1-27H;1-24H;1-23H;4-17H,1-3H3;2*2-15H,1H3
• InChIKey: SAUZCIKZKNXOLR-UHFFFAOYSA-N
• XLogP: 58.79
• TPSA: 47.65 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2840.70
LogP ≤ 5	58.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)?

The IUPAC name of 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole) (CID 160782954) is 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole).

What is the SMILES notation for 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)?

The canonical SMILES for 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole) is CC(C)(C)c1ccc2c(c1)c1ccc3c4ccccc4sc3c1n2-c1ccccc1.Cc1ccc2c(c1)c1ccc3c4ccccc4sc3c1n2-c1ccccc1.Cc1ccc2c(c1)c1ccc3c4ccccc4sc3c1n2-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)c2)cc1.c1ccc2c(c1)ccc1c2c2ccc3c4ccccc4sc3c2n1-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.c1ccc2c(c1)ccc1c2c2ccc3c4ccccc4sc3c2n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)?

The InChIKey is SAUZCIKZKNXOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS.C40H24N2S.C40H23NOS.C28H23NS.2C25H17NS/c1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-39-17-9-7-15-35(39)37-23-24-38-36-16-8-10-18-40(36)44-42(38)41(37)43;1-2-10-28-25(9-1)17-24-36-38(28)33-23-22-32-31-13-5-8-16-37(31)43-40(32)39(33)42(36)27-20-18-26(19-21-27)41-34-14-6-3-11-29(34)30-12-4-7-15-35(30)41;1-2-8-28-25(7-1)15-21-34-38(28)32-20-19-31-30-10-4-6-12-37(30)43-40(31)39(32)41(34)27-17-13-24(14-18-27)26-16-22-36-33(23-26)29-9-3-5-11-35(29)42-36;1-28(2,3)18-13-16-24-23(17-18)21-14-15-22-20-11-7-8-12-25(20)30-27(22)26(21)29(24)19-9-5-4-6-10-19;2*1-16-11-14-22-21(15-16)19-12-13-20-18-9-5-6-10-23(18)27-25(20)24(19)26(22)17-7-3-2-4-8-17/h1-27H;1-24H;1-23H;4-17H,1-3H3;2*2-15H,1H3.

What are the key properties of 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)?

3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole) has a molecular weight of 2840.70 g/mol, XLogP of 58.79, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole) is sourced from PubChem (CID 160782954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).