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

C74H47NO2 — CID 138477697

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

N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138477697) has the molecular formula C74H47NO2 and a molecular weight of 982.20 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 138477697
• Molecular Formula: C74H47NO2
• Molecular Weight: 982.20 g/mol
• Exact Mass: 981.36
• IUPAC Name: N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C74H47NO2/c1-2-19-48(20-3-1)49-37-39-50(40-38-49)51-41-44-53(45-42-51)75(67-32-18-30-65-72(67)56-23-5-8-25-59(56)74(65)63-28-11-16-35-70(63)77-71-36-17-12-29-64(71)74)66-31-13-6-21-54(66)52-43-46-60-57(47-52)55-22-4-7-24-58(55)73(60)61-26-9-14-33-68(61)76-69-34-15-10-27-62(69)73/h1-47H
• InChIKey: VTVSPLQLMAPKKC-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-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 138477697) is N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

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

The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.

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

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

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

N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-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-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138477697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).