N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine

C₅₉H₄₃NO — CID 170114783

About N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine (PubChem CID 170114783) has the molecular formula C₅₉H₄₃NO and a molecular weight of 782.00 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
• PubChem CID: 170114783
• Molecular Formula: C₅₉H₄₃NO
• Molecular Weight: 782.00 g/mol
• Exact Mass: 781.33
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3c2-c2ccccc2C32CCCC2)cc1
• InChI: InChI=1S/C59H43NO/c1-2-19-40(20-3-1)43-23-4-5-24-45(43)46-25-6-7-26-47(46)48-27-9-12-34-54(48)60(55-35-18-33-53-57(55)51-29-8-11-32-52(51)59(53)37-14-15-38-59)42-22-16-21-41(39-42)44-30-17-31-50-49-28-10-13-36-56(49)61-58(44)50/h1-13,16-36,39H,14-15,37-38H2
• InChIKey: STXMHIWCHAPBGL-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.00
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine (CID 170114783) is N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3c2-c2ccccc2C32CCCC2)cc1.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?

The InChIKey is STXMHIWCHAPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-2-19-40(20-3-1)43-23-4-5-24-45(43)46-25-6-7-26-47(46)48-27-9-12-34-54(48)60(55-35-18-33-53-57(55)51-29-8-11-32-52(51)59(53)37-14-15-38-59)42-22-16-21-41(39-42)44-30-17-31-50-49-28-10-13-36-56(49)61-58(44)50/h1-13,16-36,39H,14-15,37-38H2.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine?

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine has a molecular weight of 782.00 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine is sourced from PubChem (CID 170114783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170114783 — identifiers, structure, computed properties (public domain)

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