11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole

C63H39N7 — CID 90195034

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole (PubChem CID 90195034) has the molecular formula C63H39N7 and a molecular weight of 894.05 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole
• PubChem CID: 90195034
• Molecular Formula: C63H39N7
• Molecular Weight: 894.05 g/mol
• Exact Mass: 893.33
• IUPAC Name: 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-n4c6ccccc6c6c4ccc4c7ccccc7n(-c7ccccc7)c46)cc3n5-c3ccccc3)n2)cc1
• InChI: InChI=1S/C63H39N7/c1-5-19-40(20-6-1)61-64-62(41-21-7-2-8-22-41)66-63(65-61)70-53-31-17-14-28-46(53)50-38-57-51(39-58(50)70)47-34-33-44(37-56(47)67(57)42-23-9-3-10-24-42)68-54-32-18-15-29-49(54)59-55(68)36-35-48-45-27-13-16-30-52(45)69(60(48)59)43-25-11-4-12-26-43/h1-39H
• InChIKey: OTSVGBYXMSYIBR-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.05
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole?

The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole (CID 90195034) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole.

What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole?

The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccc(-n4c6ccccc6c6c4ccc4c7ccccc7n(-c7ccccc7)c46)cc3n5-c3ccccc3)n2)cc1.

What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole?

The InChIKey is OTSVGBYXMSYIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7/c1-5-19-40(20-6-1)61-64-62(41-21-7-2-8-22-41)66-63(65-61)70-53-31-17-14-28-46(53)50-38-57-51(39-58(50)70)47-34-33-44(37-56(47)67(57)42-23-9-3-10-24-42)68-54-32-18-15-29-49(54)59-55(68)36-35-48-45-27-13-16-30-52(45)69(60(48)59)43-25-11-4-12-26-43/h1-39H.

What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole?

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole has a molecular weight of 894.05 g/mol, XLogP of 15.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 90195034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).