5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole

C60H37N9 — CID 164745147

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole (PubChem CID 164745147) has the molecular formula C60H37N9 and a molecular weight of 884.02 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole
• PubChem CID: 164745147
• Molecular Formula: C60H37N9
• Molecular Weight: 884.02 g/mol
• Exact Mass: 883.32
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6n6c7c8ccccc8n(-c8ccccc8)c7nc56)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
• InChI: InChI=1S/C60H37N9/c1-5-19-38(20-6-1)56-61-57(39-21-7-2-8-22-39)63-59(62-56)68-50-34-33-42(35-45(50)47-37-53-46(36-54(47)68)43-27-13-15-29-48(43)65(53)40-23-9-3-10-24-40)67-51-31-17-18-32-52(51)69-55-44-28-14-16-30-49(44)66(58(55)64-60(67)69)41-25-11-4-12-26-41/h1-37H
• InChIKey: ZLSZAUONIFWSAP-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 75.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.02
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole (CID 164745147) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6n6c7c8ccccc8n(-c8ccccc8)c7nc56)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole?

The InChIKey is ZLSZAUONIFWSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N9/c1-5-19-38(20-6-1)56-61-57(39-21-7-2-8-22-39)63-59(62-56)68-50-34-33-42(35-45(50)47-37-53-46(36-54(47)68)43-27-13-15-29-48(43)65(53)40-23-9-3-10-24-40)67-51-31-17-18-32-52(51)69-55-44-28-14-16-30-49(44)66(58(55)64-60(67)69)41-25-11-4-12-26-41/h1-37H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole has a molecular weight of 884.02 g/mol, XLogP of 14.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 164745147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).