10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole

C60H37F3N6 — CID 90183114

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole (PubChem CID 90183114) has the molecular formula C60H37F3N6 and a molecular weight of 898.99 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole.

Molecular Properties

• Compound Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
• PubChem CID: 90183114
• Molecular Formula: C60H37F3N6
• Molecular Weight: 898.99 g/mol
• Exact Mass: 898.30
• IUPAC Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccc4c(ccn4-c4ccccc4)c32)c1
• InChI: InChI=1S/C60H37F3N6/c61-60(62,63)43-33-42(59-65-57(38-15-5-1-6-16-38)64-58(66-59)39-17-7-2-8-18-39)34-46(37-43)69-55-29-26-41(36-51(55)48-27-30-52-49(56(48)69)31-32-67(52)44-19-9-3-10-20-44)40-25-28-54-50(35-40)47-23-13-14-24-53(47)68(54)45-21-11-4-12-22-45/h1-37H
• InChIKey: MISGLHXCHFEAFU-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.99
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole (CID 90183114) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole.

What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3ccc4c(ccn4-c4ccccc4)c32)c1.

What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

The InChIKey is MISGLHXCHFEAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37F3N6/c61-60(62,63)43-33-42(59-65-57(38-15-5-1-6-16-38)64-58(66-59)39-17-7-2-8-18-39)34-46(37-43)69-55-29-26-41(36-51(55)48-27-30-52-49(56(48)69)31-32-67(52)44-19-9-3-10-20-44)40-25-28-54-50(35-40)47-23-13-14-24-53(47)68(54)45-21-11-4-12-22-45/h1-37H.

What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole?

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole has a molecular weight of 898.99 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenyl-7-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90183114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).