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

C48H30F3N5 — CID 90130580

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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 90130580) has the molecular formula C48H30F3N5 and a molecular weight of 733.80 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole
• PubChem CID: 90130580
• Molecular Formula: C48H30F3N5
• Molecular Weight: 733.80 g/mol
• Exact Mass: 733.25
• IUPAC Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole
• SMILES: FC(F)(F)c1cccc(-n2ccc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c32)c1
• InChI: InChI=1S/C48H30F3N5/c49-48(50,51)37-19-12-20-38(30-37)55-26-25-32-23-24-41-40-21-10-11-22-42(40)56(44(41)43(32)55)39-28-35(31-13-4-1-5-14-31)27-36(29-39)47-53-45(33-15-6-2-7-16-33)52-46(54-47)34-17-8-3-9-18-34/h1-30H
• InChIKey: RCYULIYLYTZNCQ-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.80
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole (CID 90130580) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole.

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

The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole is FC(F)(F)c1cccc(-n2ccc3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4c32)c1.

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

The InChIKey is RCYULIYLYTZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F3N5/c49-48(50,51)37-19-12-20-38(30-37)55-26-25-32-23-24-41-40-21-10-11-22-42(40)56(44(41)43(32)55)39-28-35(31-13-4-1-5-14-31)27-36(29-39)47-53-45(33-15-6-2-7-16-33)52-46(54-47)34-17-8-3-9-18-34/h1-30H.

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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole has a molecular weight of 733.80 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90130580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).