12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole

C449H284N18OS12 — CID 160538427

IUPAC12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(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.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)ccc32)cc1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)cc12.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)sc1ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3c12
InChIInChI=1S/2C42H27NS.2C39H27NS.C37H25NS.6C36H22N2S.C34H19NOS/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)43-38-17-9-7-16-37(38)41-39(43)24-23-36-35-15-8-10-18-40(35)44-42(36)41;1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-38-17-9-7-15-35(38)36-23-24-40-41(42(36)43)37-16-8-10-18-39(37)44-40;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)40-34-13-7-4-11-30(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;1-5-13-30-25(9-1)26-10-2-6-14-31(26)37(30)23-17-19-24(20-18-23)38-32-15-7-3-12-29(32)35-33(38)22-21-28-27-11-4-8-16-34(27)39-36(28)35;1-5-13-30-25(9-1)26-10-2-6-14-31(26)37(30)23-17-19-24(20-18-23)38-32-15-7-3-11-27(32)28-21-22-34-35(36(28)38)29-12-4-8-16-33(29)39-34;1-2-10-23(11-3-1)37-30-15-7-5-13-26(30)29-22-24(18-20-32(29)37)38-31-16-8-4-12-25(31)27-19-21-34-35(36(27)38)28-14-6-9-17-33(28)39-34;1-2-10-23(11-3-1)37-30-15-7-4-12-25(30)29-22-24(18-20-32(29)37)38-31-16-8-5-14-28(31)35-33(38)21-19-27-26-13-6-9-17-34(26)39-36(27)35;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*1-27H;2*3-23H,1-2H3;3-21H,1-2H3;6*1-22H;1-19H
InChIKeyQWLQDTUQMUNGFP-UHFFFAOYSA-N
MW6332.14 g/mol
LogP128.86
Rot. Bonds26

About 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole

12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 160538427) has the molecular formula C449H284N18OS12 and a molecular weight of 6332.14 g/mol. Its IUPAC name is 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID160538427
Molecular FormulaC449H284N18OS12
Molecular Weight6332.14 g/mol
Exact Mass6325.94
IUPAC Name12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESCC1(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.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)ccc32)cc1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)cc12.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)sc1ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3c12
InChIInChI=1S/2C42H27NS.2C39H27NS.C37H25NS.6C36H22N2S.C34H19NOS/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)43-38-17-9-7-16-37(38)41-39(43)24-23-36-35-15-8-10-18-40(35)44-42(36)41;1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-38-17-9-7-15-35(38)36-23-24-40-41(42(36)43)37-16-8-10-18-39(37)44-40;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)40-34-13-7-4-11-30(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;1-5-13-30-25(9-1)26-10-2-6-14-31(26)37(30)23-17-19-24(20-18-23)38-32-15-7-3-12-29(32)35-33(38)22-21-28-27-11-4-8-16-34(27)39-36(28)35;1-5-13-30-25(9-1)26-10-2-6-14-31(26)37(30)23-17-19-24(20-18-23)38-32-15-7-3-11-27(32)28-21-22-34-35(36(28)38)29-12-4-8-16-33(29)39-34;1-2-10-23(11-3-1)37-30-15-7-5-13-26(30)29-22-24(18-20-32(29)37)38-31-16-8-4-12-25(31)27-19-21-34-35(36(27)38)28-14-6-9-17-33(28)39-34;1-2-10-23(11-3-1)37-30-15-7-4-12-25(30)29-22-24(18-20-32(29)37)38-31-16-8-5-14-28(31)35-33(38)21-19-27-26-13-6-9-17-34(26)39-36(27)35;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*1-27H;2*3-23H,1-2H3;3-21H,1-2H3;6*1-22H;1-19H
InChIKeyQWLQDTUQMUNGFP-UHFFFAOYSA-N
XLogP128.86
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms480
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006332.14
LogP ≤ 5128.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole with MolForge

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What is the IUPAC name of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole (CID 160538427) is 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole 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.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)cc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)ccc32)cc1.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)cc12.c1ccc2c(c1)sc1c2ccc2c1c1ccccc1n2-c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)sc1ccc3c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3c12.
What is the InChIKey of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is QWLQDTUQMUNGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H27NS.2C39H27NS.C37H25NS.6C36H22N2S.C34H19NOS/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)43-38-17-9-7-16-37(38)41-39(43)24-23-36-35-15-8-10-18-40(35)44-42(36)41;1-3-11-28(12-4-1)31-25-32(29-13-5-2-6-14-29)27-33(26-31)30-19-21-34(22-20-30)43-38-17-9-7-15-35(38)36-23-24-40-41(42(36)43)37-16-8-10-18-39(37)44-40;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)40-34-13-7-4-11-30(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;1-5-13-30-25(9-1)26-10-2-6-14-31(26)37(30)23-17-19-24(20-18-23)38-32-15-7-3-12-29(32)35-33(38)22-21-28-27-11-4-8-16-34(27)39-36(28)35;1-5-13-30-25(9-1)26-10-2-6-14-31(26)37(30)23-17-19-24(20-18-23)38-32-15-7-3-11-27(32)28-21-22-34-35(36(28)38)29-12-4-8-16-33(29)39-34;1-2-10-23(11-3-1)37-30-15-7-5-13-26(30)29-22-24(18-20-32(29)37)38-31-16-8-4-12-25(31)27-19-21-34-35(36(27)38)28-14-6-9-17-33(28)39-34;1-2-10-23(11-3-1)37-30-15-7-4-12-25(30)29-22-24(18-20-32(29)37)38-31-16-8-5-14-28(31)35-33(38)21-19-27-26-13-6-9-17-34(26)39-36(27)35;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*1-27H;2*3-23H,1-2H3;3-21H,1-2H3;6*1-22H;1-19H.
What are the key properties of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole?
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 6332.14 g/mol, XLogP of 128.86, 26 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-a]carbazole;5-(3-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-c]carbazole;5-(4-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-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;12-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 160538427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).