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

C74H47NO2 — CID 138477499

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

N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138477499) has the molecular formula C74H47NO2 and a molecular weight of 982.20 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 138477499
• Molecular Formula: C74H47NO2
• Molecular Weight: 982.20 g/mol
• Exact Mass: 981.36
• IUPAC Name: N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C74H47NO2/c1-2-19-48(20-3-1)49-37-39-50(40-38-49)55-23-6-13-32-68(55)75(54-42-44-59-57-25-5-8-27-61(57)74(67(59)47-54)64-30-11-16-35-71(64)77-72-36-17-12-31-65(72)74)53-22-18-21-51(45-53)52-41-43-58-56-24-4-7-26-60(56)73(66(58)46-52)62-28-9-14-33-69(62)76-70-34-15-10-29-63(70)73/h1-47H
• InChIKey: DYMKKYOCYDJUDY-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.20
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 138477499) is N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

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

The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1.

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

The InChIKey is DYMKKYOCYDJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47NO2/c1-2-19-48(20-3-1)49-37-39-50(40-38-49)55-23-6-13-32-68(55)75(54-42-44-59-57-25-5-8-27-61(57)74(67(59)47-54)64-30-11-16-35-71(64)77-72-36-17-12-31-65(72)74)53-22-18-21-51(45-53)52-41-43-58-56-24-4-7-26-60(56)73(66(58)46-52)62-28-9-14-33-69(62)76-70-34-15-10-29-63(70)73/h1-47H.

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

N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 982.20 g/mol, XLogP of 19.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138477499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).