5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]

C58H35NO — CID 168855220

About 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]

5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] (PubChem CID 168855220) has the molecular formula C58H35NO and a molecular weight of 761.92 g/mol. Its IUPAC name is 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene].

Molecular Properties

• Compound Name: 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
• PubChem CID: 168855220
• Molecular Formula: C58H35NO
• Molecular Weight: 761.92 g/mol
• Exact Mass: 761.27
• IUPAC Name: 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
• SMILES: c1ccc(-c2nc3c(c4ccccc24)C2(c4ccccc4Oc4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc42)c2ccccc2-3)cc1
• InChI: InChI=1S/C58H35NO/c1-2-15-36(16-3-1)56-47-24-9-8-23-46(47)55-57(59-56)48-25-10-11-26-50(48)58(55)51-27-12-13-28-53(51)60-54-32-30-40(35-52(54)58)38-18-14-17-37(33-38)39-29-31-45-43-21-5-4-19-41(43)42-20-6-7-22-44(42)49(45)34-39/h1-35H
• InChIKey: CTAZRRYEARXAHA-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.92
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?

The IUPAC name of 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] (CID 168855220) is 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene].

What is the SMILES notation for 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?

The canonical SMILES for 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] is c1ccc(-c2nc3c(c4ccccc24)C2(c4ccccc4Oc4ccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)cc42)c2ccccc2-3)cc1.

What is the InChIKey of 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?

The InChIKey is CTAZRRYEARXAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO/c1-2-15-36(16-3-1)56-47-24-9-8-23-46(47)55-57(59-56)48-25-10-11-26-50(48)58(55)51-27-12-13-28-53(51)60-54-32-30-40(35-52(54)58)38-18-14-17-37(33-38)39-29-31-45-43-21-5-4-19-41(43)42-20-6-7-22-44(42)49(45)34-39/h1-35H.

What are the key properties of 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]?

5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] has a molecular weight of 761.92 g/mol, XLogP of 15.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2'-(3-triphenylen-2-ylphenyl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene] is sourced from PubChem (CID 168855220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).