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

C74H47NO2 — CID 138477575

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

N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (PubChem CID 138477575) has the molecular formula C74H47NO2 and a molecular weight of 982.20 g/mol. Its IUPAC name is N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• PubChem CID: 138477575
• Molecular Formula: C74H47NO2
• Molecular Weight: 982.20 g/mol
• Exact Mass: 981.36
• IUPAC Name: N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• SMILES: c1ccc(-c2cccc(N(c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1
• InChI: InChI=1S/C74H47NO2/c1-2-23-48(24-3-1)49-25-20-26-50(47-49)75(65-41-14-6-27-51(65)53-31-21-39-63-71(53)55-29-4-8-33-57(55)73(63)59-35-10-16-43-67(59)76-68-44-17-11-36-60(68)73)66-42-15-7-28-52(66)54-32-22-40-64-72(54)56-30-5-9-34-58(56)74(64)61-37-12-18-45-69(61)77-70-46-19-13-38-62(70)74/h1-47H
• InChIKey: REBZHOIBQLZMEG-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-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?

The IUPAC name of N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (CID 138477575) is N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

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

The canonical SMILES for N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is c1ccc(-c2cccc(N(c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1.

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

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

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

N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline 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-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is sourced from PubChem (CID 138477575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).