17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C212H128N16S6 — CID 161099547

About 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 161099547) has the molecular formula C212H128N16S6 and a molecular weight of 3091.87 g/mol. Its IUPAC name is 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

• Compound Name: 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
• PubChem CID: 161099547
• Molecular Formula: C212H128N16S6
• Molecular Weight: 3091.87 g/mol
• Exact Mass: 3088.88
• IUPAC Name: 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5c6ccccc6c6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5c6ccccc6ccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5cc6ccccc6cc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5ccc6ccccc6c5c4n3)cc2)cc1.c1ccc2c(c1)c1ccccc1c1c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3sc21.c1ccc2c(c1)ccc1c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3sc21
• InChI: InChI=1S/C42H24N4S.C38H22N4S.C36H22N2S.3C32H20N2S/c1-3-19-31-25(13-1)26-14-2-4-20-32(26)39-37(31)38-40(47-39)41(45-33-21-9-5-15-27(33)28-16-6-10-22-34(28)45)44-42(43-38)46-35-23-11-7-17-29(35)30-18-8-12-24-36(30)46;1-2-12-24-23(11-1)21-22-29-34-36(43-35(24)29)37(41-30-17-7-3-13-25(30)26-14-4-8-18-31(26)41)40-38(39-34)42-32-19-9-5-15-27(32)28-16-6-10-20-33(28)42;1-3-11-23(12-4-1)24-19-21-26(22-20-24)36-37-32(25-13-5-2-6-14-25)35-33(38-36)31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)34(31)39-35;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-29(24-12-5-2-6-13-24)31-30(34-32)28-26-14-8-7-11-23(26)19-20-27(28)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-28(24-12-5-2-6-13-24)31-29(34-32)27-20-19-23-11-7-8-14-26(23)30(27)35-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)32-33-29(23-11-5-2-6-12-23)31-30(34-32)27-19-25-13-7-8-14-26(25)20-28(27)35-31/h1-24H;1-22H;1-22H;3*1-20H
• InChIKey: UIFWVXZOVJARNG-UHFFFAOYSA-N
• XLogP: 58.69
• TPSA: 174.40 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3091.87
LogP ≤ 5	58.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?

The IUPAC name of 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 161099547) is 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

What is the SMILES notation for 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?

The canonical SMILES for 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5c6ccccc6c6ccccc6c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5c6ccccc6ccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5cc6ccccc6cc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4sc5ccc6ccccc6c5c4n3)cc2)cc1.c1ccc2c(c1)c1ccccc1c1c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3sc21.c1ccc2c(c1)ccc1c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3sc21.

What is the InChIKey of 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?

The InChIKey is UIFWVXZOVJARNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4S.C38H22N4S.C36H22N2S.3C32H20N2S/c1-3-19-31-25(13-1)26-14-2-4-20-32(26)39-37(31)38-40(47-39)41(45-33-21-9-5-15-27(33)28-16-6-10-22-34(28)45)44-42(43-38)46-35-23-11-7-17-29(35)30-18-8-12-24-36(30)46;1-2-12-24-23(11-1)21-22-29-34-36(43-35(24)29)37(41-30-17-7-3-13-25(30)26-14-4-8-18-31(26)41)40-38(39-34)42-32-19-9-5-15-27(32)28-16-6-10-20-33(28)42;1-3-11-23(12-4-1)24-19-21-26(22-20-24)36-37-32(25-13-5-2-6-14-25)35-33(38-36)31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)34(31)39-35;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-29(24-12-5-2-6-13-24)31-30(34-32)28-26-14-8-7-11-23(26)19-20-27(28)35-31;1-3-9-21(10-4-1)22-15-17-25(18-16-22)32-33-28(24-12-5-2-6-13-24)31-29(34-32)27-20-19-23-11-7-8-14-26(23)30(27)35-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)32-33-29(23-11-5-2-6-12-23)31-30(34-32)27-19-25-13-7-8-14-26(25)20-28(27)35-31/h1-24H;1-22H;1-22H;3*1-20H.

What are the key properties of 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?

17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 3091.87 g/mol, XLogP of 58.69, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 17,19-di(carbazol-9-yl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13,15-di(carbazol-9-yl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;19-phenyl-17-(4-phenylphenyl)-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;13-phenyl-15-(4-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;15-phenyl-13-(4-phenylphenyl)-17-thia-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 161099547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).