11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole

C60H40N8 — CID 162498267

About 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole

11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 162498267) has the molecular formula C60H40N8 and a molecular weight of 873.04 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 162498267
• Molecular Formula: C60H40N8
• Molecular Weight: 873.04 g/mol
• Exact Mass: 872.34
• IUPAC Name: 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c54)c3)NC(c3ccccc3)=N2)cc1
• InChI: InChI=1S/C60H40N8/c1-5-19-39(20-6-1)55-61-56(40-21-7-2-8-22-40)64-59(63-55)43-27-17-29-45(37-43)67-51-33-15-13-31-47(51)49-35-36-50-48-32-14-16-34-52(48)68(54(50)53(49)67)46-30-18-28-44(38-46)60-65-57(41-23-9-3-10-24-41)62-58(66-60)42-25-11-4-12-26-42/h1-38,59H,(H,61,63,64)
• InChIKey: CBAQPMXUYNTJHY-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 85.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.04
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole (CID 162498267) is 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c54)c3)NC(c3ccccc3)=N2)cc1.

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

The InChIKey is CBAQPMXUYNTJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N8/c1-5-19-39(20-6-1)55-61-56(40-21-7-2-8-22-40)64-59(63-55)43-27-17-29-45(37-43)67-51-33-15-13-31-47(51)49-35-36-50-48-32-14-16-34-52(48)68(54(50)53(49)67)46-30-18-28-44(38-46)60-65-57(41-23-9-3-10-24-41)62-58(66-60)42-25-11-4-12-26-42/h1-38,59H,(H,61,63,64).

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

11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 873.04 g/mol, XLogP of 13.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 162498267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).