12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C221H142N8OS6 — CID 160655855

About 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 160655855) has the molecular formula C221H142N8OS6 and a molecular weight of 3118.02 g/mol. Its IUPAC name is 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 160655855
• Molecular Formula: C221H142N8OS6
• Molecular Weight: 3118.02 g/mol
• Exact Mass: 3114.96
• IUPAC Name: 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)ccc21.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)cc12
• InChI: InChI=1S/2C39H27NS.C37H25NS.2C36H22N2S.C34H19NOS/c1-39(2)32-12-6-3-9-27(32)31-23-25(17-21-33(31)39)24-15-18-26(19-16-24)40-34-13-7-4-11-30(34)37-35(40)22-20-29-28-10-5-8-14-36(28)41-38(29)37;1-39(2)32-12-6-3-9-27(32)31-23-25(17-21-33(31)39)24-15-18-26(19-16-24)40-34-13-7-4-10-28(34)29-20-22-36-37(38(29)40)30-11-5-8-14-35(30)41-36;1-37(2)29-16-8-5-11-23(29)28-21-22(19-20-30(28)37)38-31-17-9-6-14-26(31)34-35(38)25-13-4-3-12-24(25)33-27-15-7-10-18-32(27)39-36(33)34;1-5-16-30-25(12-1)26-13-2-6-17-31(26)37(30)23-10-9-11-24(22-23)38-32-18-7-3-15-29(32)35-33(38)21-20-28-27-14-4-8-19-34(27)39-36(28)35;1-5-16-30-25(12-1)26-13-2-6-17-31(26)37(30)23-10-9-11-24(22-23)38-32-18-7-3-14-27(32)28-20-21-34-35(36(28)38)29-15-4-8-19-33(29)39-34;1-2-11-23-22(10-1)31-25-13-5-8-16-30(25)37-34(31)32-24-12-3-6-14-27(24)35(33(23)32)20-17-18-29-26(19-20)21-9-4-7-15-28(21)36-29/h2*3-23H,1-2H3;3-21H,1-2H3;2*1-22H;1-19H
• InChIKey: RLAPZOOXBDKGAH-UHFFFAOYSA-N
• XLogP: 63.56
• TPSA: 52.58 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3118.02
LogP ≤ 5	63.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 160655855) is 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)ccc21.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)cc12.

What is the InChIKey of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The InChIKey is RLAPZOOXBDKGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H27NS.C37H25NS.2C36H22N2S.C34H19NOS/c1-39(2)32-12-6-3-9-27(32)31-23-25(17-21-33(31)39)24-15-18-26(19-16-24)40-34-13-7-4-11-30(34)37-35(40)22-20-29-28-10-5-8-14-36(28)41-38(29)37;1-39(2)32-12-6-3-9-27(32)31-23-25(17-21-33(31)39)24-15-18-26(19-16-24)40-34-13-7-4-10-28(34)29-20-22-36-37(38(29)40)30-11-5-8-14-35(30)41-36;1-37(2)29-16-8-5-11-23(29)28-21-22(19-20-30(28)37)38-31-17-9-6-14-26(31)34-35(38)25-13-4-3-12-24(25)33-27-15-7-10-18-32(27)39-36(33)34;1-5-16-30-25(12-1)26-13-2-6-17-31(26)37(30)23-10-9-11-24(22-23)38-32-18-7-3-15-29(32)35-33(38)21-20-28-27-14-4-8-19-34(27)39-36(28)35;1-5-16-30-25(12-1)26-13-2-6-17-31(26)37(30)23-10-9-11-24(22-23)38-32-18-7-3-14-27(32)28-20-21-34-35(36(28)38)29-15-4-8-19-33(29)39-34;1-2-11-23-22(10-1)31-25-13-5-8-16-30(25)37-34(31)32-24-12-3-6-14-27(24)35(33(23)32)20-17-18-29-26(19-20)21-9-4-7-15-28(21)36-29/h2*3-23H,1-2H3;3-21H,1-2H3;2*1-22H;1-19H.

What are the key properties of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 3118.02 g/mol, XLogP of 63.56, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;9-dibenzofuran-2-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(9,9-dimethylfluoren-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-(9,9-dimethylfluoren-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 160655855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).