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

C74H47NO2 — CID 138477446

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

N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138477446) has the molecular formula C74H47NO2 and a molecular weight of 982.20 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 138477446
• Molecular Formula: C74H47NO2
• Molecular Weight: 982.20 g/mol
• Exact Mass: 981.36
• IUPAC Name: N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C74H47NO2/c1-2-18-48(19-3-1)49-34-36-51(37-35-49)55-20-6-13-29-68(55)75(54-43-44-58-56-21-4-7-23-60(56)74(67(58)47-54)65-27-11-16-32-71(65)77-72-33-17-12-28-66(72)74)53-41-38-50(39-42-53)52-40-45-62-59(46-52)57-22-5-8-24-61(57)73(62)63-25-9-14-30-69(63)76-70-31-15-10-26-64(70)73/h1-47H
• InChIKey: JVWXRVWLVBPXKE-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-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 138477446) is N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

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

The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1.

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

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

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

N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-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-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138477446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).