N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine

C₅₂H₃₇NO — CID 167177926

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 167177926) has the molecular formula C₅₂H₃₇NO and a molecular weight of 691.87 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 167177926
• Molecular Formula: C₅₂H₃₇NO
• Molecular Weight: 691.87 g/mol
• Exact Mass: 691.29
• IUPAC Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc21
• InChI: InChI=1S/C52H37NO/c1-51(2)41-19-8-6-17-38(41)39-32-29-35(33-46(39)51)34-27-30-37(31-28-34)53(36-15-4-3-5-16-36)47-24-14-23-45-50(47)40-18-7-9-20-42(40)52(45)43-21-10-12-25-48(43)54-49-26-13-11-22-44(49)52/h3-33H,1-2H3
• InChIKey: ULNYAZWUURRZQL-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.87
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine (CID 167177926) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?

The InChIKey is ULNYAZWUURRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO/c1-51(2)41-19-8-6-17-38(41)39-32-29-35(33-46(39)51)34-27-30-37(31-28-34)53(36-15-4-3-5-16-36)47-24-14-23-45-50(47)40-18-7-9-20-42(40)52(45)43-21-10-12-25-48(43)54-49-26-13-11-22-44(49)52/h3-33H,1-2H3.

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine?

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 691.87 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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 167177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167177926 — identifiers, structure, computed properties (public domain)

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