12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide

C161H116N16O10S5Si — CID 157173173

About 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide

12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide (PubChem CID 157173173) has the molecular formula C161H116N16O10S5Si and a molecular weight of 2623.22 g/mol. Its IUPAC name is 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide.

Molecular Properties

• Compound Name: 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
• PubChem CID: 157173173
• Molecular Formula: C161H116N16O10S5Si
• Molecular Weight: 2623.22 g/mol
• Exact Mass: 2620.74
• IUPAC Name: 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
• SMILES: CC(C)(C)c1nc2c(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-c3nc4ccccc4nc3-c3ccccc3)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-n3c4ccccc4c4c5ccccc5ccc43)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-n3c4ccccc4c4ccccc43)ccc3c2n1-c1ccccc1S3(=O)=O
• InChI: InChI=1S/C39H30N2O2SSi.C35H26N4O2S.C31H21N3O2S.C29H20N4O2S.C27H19N3O2S/c1-2-37-40-38-33(26-27-36-39(38)41(37)34-20-12-13-21-35(34)44(36,42)43)28-22-24-32(25-23-28)45(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31;1-35(2,3)34-38-32-25(17-19-29-33(32)39(34)27-8-4-5-9-28(27)42(29,40)41)21-10-12-22(13-11-21)26-18-16-24-15-14-23-7-6-20-36-30(23)31(24)37-26;1-2-28-32-30-25(17-18-27-31(30)34(28)23-13-7-8-14-26(23)37(27,35)36)33-22-12-6-5-11-21(22)29-20-10-4-3-9-19(20)15-16-24(29)33;1-2-25-32-28-19(16-17-24-29(28)33(25)22-14-8-9-15-23(22)36(24,34)35)27-26(18-10-4-3-5-11-18)30-20-12-6-7-13-21(20)31-27;1-2-25-28-26-22(29-19-11-5-3-9-17(19)18-10-4-6-12-20(18)29)15-16-24-27(26)30(25)21-13-7-8-14-23(21)33(24,31)32/h3-27H,2H2,1H3;4-20H,1-3H3;3-18H,2H2,1H3;3-17H,2H2,1H3;3-16H,2H2,1H3
• InChIKey: ANSATLVNVWRUOP-UHFFFAOYSA-N
• XLogP: 32.51
• TPSA: 321.22 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2623.22
LogP ≤ 5	32.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?

The IUPAC name of 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide (CID 157173173) is 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide.

What is the SMILES notation for 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?

The canonical SMILES for 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide is CC(C)(C)c1nc2c(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-c3nc4ccccc4nc3-c3ccccc3)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-n3c4ccccc4c4c5ccccc5ccc43)ccc3c2n1-c1ccccc1S3(=O)=O.CCc1nc2c(-n3c4ccccc4c4ccccc43)ccc3c2n1-c1ccccc1S3(=O)=O.

What is the InChIKey of 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?

The InChIKey is ANSATLVNVWRUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O2SSi.C35H26N4O2S.C31H21N3O2S.C29H20N4O2S.C27H19N3O2S/c1-2-37-40-38-33(26-27-36-39(38)41(37)34-20-12-13-21-35(34)44(36,42)43)28-22-24-32(25-23-28)45(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31;1-35(2,3)34-38-32-25(17-19-29-33(32)39(34)27-8-4-5-9-28(27)42(29,40)41)21-10-12-22(13-11-21)26-18-16-24-15-14-23-7-6-20-36-30(23)31(24)37-26;1-2-28-32-30-25(17-18-27-31(30)34(28)23-13-7-8-14-26(23)37(27,35)36)33-22-12-6-5-11-21(22)29-20-10-4-3-9-19(20)15-16-24(29)33;1-2-25-32-28-19(16-17-24-29(28)33(25)22-14-8-9-15-23(22)36(24,34)35)27-26(18-10-4-3-5-11-18)30-20-12-6-7-13-21(20)31-27;1-2-25-28-26-22(29-19-11-5-3-9-17(19)18-10-4-6-12-20(18)29)15-16-24-27(26)30(25)21-13-7-8-14-23(21)33(24,31)32/h3-27H,2H2,1H3;4-20H,1-3H3;3-18H,2H2,1H3;3-17H,2H2,1H3;3-16H,2H2,1H3.

What are the key properties of 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?

12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide has a molecular weight of 2623.22 g/mol, XLogP of 32.51, 15 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 12-benzo[c]carbazol-7-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;15-tert-butyl-12-[4-(1,10-phenanthrolin-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide;[4-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaen-12-yl)phenyl]-triphenylsilane;15-ethyl-12-(3-phenylquinoxalin-2-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide is sourced from PubChem (CID 157173173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).