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

C68H43NO2 — CID 138476846

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

N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138476846) has the molecular formula C68H43NO2 and a molecular weight of 906.10 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 138476846
• Molecular Formula: C68H43NO2
• Molecular Weight: 906.10 g/mol
• Exact Mass: 905.33
• IUPAC Name: N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C68H43NO2/c1-2-22-44(23-3-1)45-24-6-14-37-58(45)69(60-39-21-36-57-66(60)49-27-5-9-30-51(49)68(57)54-33-12-18-42-63(54)71-64-43-19-13-34-55(64)68)59-38-15-7-25-46(59)47-28-20-35-56-65(47)48-26-4-8-29-50(48)67(56)52-31-10-16-40-61(52)70-62-41-17-11-32-53(62)67/h1-43H
• InChIKey: DMIPAAOOSWQCFW-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.10
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 138476846) is N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

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

The canonical SMILES for N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.

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

The InChIKey is DMIPAAOOSWQCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO2/c1-2-22-44(23-3-1)45-24-6-14-37-58(45)69(60-39-21-36-57-66(60)49-27-5-9-30-51(49)68(57)54-33-12-18-42-63(54)71-64-43-19-13-34-55(64)68)59-38-15-7-25-46(59)47-28-20-35-56-65(47)48-26-4-8-29-50(48)67(56)52-31-10-16-40-61(52)70-62-41-17-11-32-53(62)67/h1-43H.

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

N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 906.10 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138476846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).