2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine

C54H35N3O — CID 147483176

About 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine

2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine (PubChem CID 147483176) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine
• PubChem CID: 147483176
• Molecular Formula: C54H35N3O
• Molecular Weight: 741.89 g/mol
• Exact Mass: 741.28
• IUPAC Name: 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine
• SMILES: C1=CCC2Oc3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7ccccc76)c5)n4)cc3C3(C2=C1)c1ccccc1-c1ccccc13
• InChI: InChI=1S/C54H35N3O/c1-2-15-35(16-3-1)51-55-52(38-28-30-41-36(32-38)27-26-34-14-4-5-17-39(34)41)57-53(56-51)44-21-7-6-18-40(44)37-29-31-50-48(33-37)54(47-24-12-13-25-49(47)58-50)45-22-10-8-19-42(45)43-20-9-11-23-46(43)54/h1-24,26-33,49H,25H2
• InChIKey: FEBFTXPINJCUPV-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.89
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine (CID 147483176) is 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine is C1=CCC2Oc3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7ccccc76)c5)n4)cc3C3(C2=C1)c1ccccc1-c1ccccc13.

What is the InChIKey of 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine?

The InChIKey is FEBFTXPINJCUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-2-15-35(16-3-1)51-55-52(38-28-30-41-36(32-38)27-26-34-14-4-5-17-39(34)41)57-53(56-51)44-21-7-6-18-40(44)37-29-31-50-48(33-37)54(47-24-12-13-25-49(47)58-50)45-22-10-8-19-42(45)43-20-9-11-23-46(43)54/h1-24,26-33,49H,25H2.

What are the key properties of 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine?

2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine has a molecular weight of 741.89 g/mol, XLogP of 12.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenanthren-2-yl-4-phenyl-6-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 147483176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).