8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine

C60H33N9S2 — CID 58099662

About 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine

8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine (PubChem CID 58099662) has the molecular formula C60H33N9S2 and a molecular weight of 944.12 g/mol. Its IUPAC name is 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine
• PubChem CID: 58099662
• Molecular Formula: C60H33N9S2
• Molecular Weight: 944.12 g/mol
• Exact Mass: 943.23
• IUPAC Name: 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine
• SMILES: c1cc(-c2cccc3c2sc2ccc(-n4c5ccc(-c6cc(-n7c8cccnc8c8ncccc87)cc7c6sc6ccncc67)cc5c5ncccc54)cc23)cc(-n2c3cccnc3c3ncccc32)c1
• InChI: InChI=1S/C60H33N9S2/c1-8-34(28-36(9-1)68-48-13-4-23-63-55(48)56-49(68)14-5-24-64-56)39-10-2-11-40-42-30-37(18-20-52(42)70-59(39)40)67-46-19-17-35(29-44(46)54-47(67)12-3-22-62-54)41-31-38(32-43-45-33-61-27-21-53(45)71-60(41)43)69-50-15-6-25-65-57(50)58-51(69)16-7-26-66-58/h1-33H
• InChIKey: PQBVMCBXSPACKY-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 92.13 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.12
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine?

The IUPAC name of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine (CID 58099662) is 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine.

What is the SMILES notation for 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine?

The canonical SMILES for 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine is c1cc(-c2cccc3c2sc2ccc(-n4c5ccc(-c6cc(-n7c8cccnc8c8ncccc87)cc7c6sc6ccncc67)cc5c5ncccc54)cc23)cc(-n2c3cccnc3c3ncccc32)c1.

What is the InChIKey of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine?

The InChIKey is PQBVMCBXSPACKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N9S2/c1-8-34(28-36(9-1)68-48-13-4-23-63-55(48)56-49(68)14-5-24-64-56)39-10-2-11-40-42-30-37(18-20-52(42)70-59(39)40)67-46-19-17-35(29-44(46)54-47(67)12-3-22-62-54)41-31-38(32-43-45-33-61-27-21-53(45)71-60(41)43)69-50-15-6-25-65-57(50)58-51(69)16-7-26-66-58/h1-33H.

What are the key properties of 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine?

8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 944.12 g/mol, XLogP of 15.42, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-6-[5-[6-[3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indol-8-yl]-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 58099662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).