4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]

C61H38N4 — CID 146595249

About 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]

4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline] (PubChem CID 146595249) has the molecular formula C61H38N4 and a molecular weight of 827.00 g/mol. Its IUPAC name is 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline].

Molecular Properties

• Compound Name: 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]
• PubChem CID: 146595249
• Molecular Formula: C61H38N4
• Molecular Weight: 827.00 g/mol
• Exact Mass: 826.31
• IUPAC Name: 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C61H38N4/c1-4-19-39(20-5-1)44-27-10-11-31-48(44)56-37-49(42-25-18-26-43(35-42)60-64-58(40-21-6-2-7-22-40)63-59(65-60)41-23-8-3-9-24-41)51-36-50-47-30-14-17-34-54(47)61(55(50)38-57(51)62-56)52-32-15-12-28-45(52)46-29-13-16-33-53(46)61/h1-38H
• InChIKey: SQEOJIDRJIGUMS-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.00
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

The IUPAC name of 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline] (CID 146595249) is 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline].

What is the SMILES notation for 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

The canonical SMILES for 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5-c5ccccc5)nc5cc6c(cc45)-c4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

The InChIKey is SQEOJIDRJIGUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4/c1-4-19-39(20-5-1)44-27-10-11-31-48(44)56-37-49(42-25-18-26-43(35-42)60-64-58(40-21-6-2-7-22-40)63-59(65-60)41-23-8-3-9-24-41)51-36-50-47-30-14-17-34-54(47)61(55(50)38-57(51)62-56)52-32-15-12-28-45(52)46-29-13-16-33-53(46)61/h1-38H.

What are the key properties of 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]?

4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline] has a molecular weight of 827.00 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline] is sourced from PubChem (CID 146595249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).