N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C51H33NO — CID 90153947

About N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 90153947) has the molecular formula C51H33NO and a molecular weight of 675.83 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 90153947
• Molecular Formula: C51H33NO
• Molecular Weight: 675.83 g/mol
• Exact Mass: 675.26
• IUPAC Name: N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
• InChI: InChI=1S/C51H33NO/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)52(39-28-30-42-37(32-39)23-22-36-14-4-5-15-41(36)42)40-29-31-44-43-16-6-7-17-45(43)51(48(44)33-40)46-18-8-10-20-49(46)53-50-21-11-9-19-47(50)51/h1-33H
• InChIKey: JQVWHIUWWMCDBM-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.83
LogP ≤ 5	13.60
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-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 90153947) is N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.

What is the InChIKey of N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is JQVWHIUWWMCDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO/c1-2-12-34(13-3-1)35-24-26-38(27-25-35)52(39-28-30-42-37(32-39)23-22-36-14-4-5-15-41(36)42)40-29-31-44-43-16-6-7-17-45(43)51(48(44)33-40)46-18-8-10-20-49(46)53-50-21-11-9-19-47(50)51/h1-33H.

What are the key properties of N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 675.83 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 90153947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).