N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

C61H39NO — CID 156563259

About N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (PubChem CID 156563259) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.

Molecular Properties

• Compound Name: N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
• PubChem CID: 156563259
• Molecular Formula: C61H39NO
• Molecular Weight: 801.99 g/mol
• Exact Mass: 801.30
• IUPAC Name: N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1
• InChI: InChI=1S/C61H39NO/c1-2-14-40(15-3-1)41-26-31-45(32-27-41)62(46-33-28-43(29-34-46)53-38-44-17-5-6-18-48(44)50-20-8-9-21-51(50)53)47-35-36-52-57(39-47)61(56-37-30-42-16-4-7-19-49(42)60(52)56)54-22-10-12-24-58(54)63-59-25-13-11-23-55(59)61/h1-39H
• InChIKey: STCDLCWYQWCUCM-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.99
LogP ≤ 5	16.42
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 N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?

The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (CID 156563259) is N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.

What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?

The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1.

What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?

The InChIKey is STCDLCWYQWCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-2-14-40(15-3-1)41-26-31-45(32-27-41)62(46-33-28-43(29-34-46)53-38-44-17-5-6-18-48(44)50-20-8-9-21-51(50)53)47-35-36-52-57(39-47)61(56-37-30-42-16-4-7-19-49(42)60(52)56)54-22-10-12-24-58(54)63-59-25-13-11-23-55(59)61/h1-39H.

What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?

N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine has a molecular weight of 801.99 g/mol, XLogP of 16.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is sourced from PubChem (CID 156563259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).