2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine

C61H38N6O — CID 153297845

About 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine

2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine (PubChem CID 153297845) has the molecular formula C61H38N6O and a molecular weight of 871.02 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
• PubChem CID: 153297845
• Molecular Formula: C61H38N6O
• Molecular Weight: 871.02 g/mol
• Exact Mass: 870.31
• IUPAC Name: 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4-5)n3)c2)cc1
• InChI: InChI=1S/C61H38N6O/c1-5-18-39(19-6-1)43-26-17-27-44(36-43)58-63-57(42-24-11-4-12-25-42)66-60(67-58)46-33-35-48-47-34-32-45(59-64-55(40-20-7-2-8-21-40)62-56(65-59)41-22-9-3-10-23-41)37-51(47)61(52(48)38-46)49-28-13-15-30-53(49)68-54-31-16-14-29-50(54)61/h1-38H
• InChIKey: KMKVAMKDDQBGEG-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 86.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.02
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine (CID 153297845) is 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4-5)n3)c2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine?

The InChIKey is KMKVAMKDDQBGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N6O/c1-5-18-39(19-6-1)43-26-17-27-44(36-43)58-63-57(42-24-11-4-12-25-42)66-60(67-58)46-33-35-48-47-34-32-45(59-64-55(40-20-7-2-8-21-40)62-56(65-59)41-22-9-3-10-23-41)37-51(47)61(52(48)38-46)49-28-13-15-30-53(49)68-54-31-16-14-29-50(54)61/h1-38H.

What are the key properties of 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine?

2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine has a molecular weight of 871.02 g/mol, XLogP of 14.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine is sourced from PubChem (CID 153297845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).