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

C58H38N4 — CID 139521203

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

10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 139521203) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
• PubChem CID: 139521203
• Molecular Formula: C58H38N4
• Molecular Weight: 790.97 g/mol
• Exact Mass: 790.31
• IUPAC Name: 10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6ccccc65)n4)cc3)cc2)cc1
• InChI: InChI=1S/C58H38N4/c1-4-16-39(17-5-1)40-28-30-41(31-29-40)42-32-34-44(35-33-42)56-59-55(43-18-6-2-7-19-43)60-57(61-56)45-36-37-52-54(38-45)62(46-20-8-3-9-21-46)53-27-15-14-26-51(53)58(52)49-24-12-10-22-47(49)48-23-11-13-25-50(48)58/h1-38H
• InChIKey: MCTPMUKPIFFXCW-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.97
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] (CID 139521203) is 10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene].

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

The canonical SMILES for 10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6ccccc65)n4)cc3)cc2)cc1.

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

The InChIKey is MCTPMUKPIFFXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-4-16-39(17-5-1)40-28-30-41(31-29-40)42-32-34-44(35-33-42)56-59-55(43-18-6-2-7-19-43)60-57(61-56)45-36-37-52-54(38-45)62(46-20-8-3-9-21-46)53-27-15-14-26-51(53)58(52)49-24-12-10-22-47(49)48-23-11-13-25-50(48)58/h1-38H.

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

10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] has a molecular weight of 790.97 g/mol, XLogP of 14.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 139521203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).