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

C68H43NO2 — CID 138477700

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

N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138477700) has the molecular formula C68H43NO2 and a molecular weight of 906.10 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 138477700
• Molecular Formula: C68H43NO2
• Molecular Weight: 906.10 g/mol
• Exact Mass: 905.33
• IUPAC Name: N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: c1ccc(-c2cccc(N(c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1
• InChI: InChI=1S/C68H43NO2/c1-2-20-44(21-3-1)45-22-18-23-47(42-45)69(61-35-19-33-59-66(61)50-26-5-8-28-53(50)68(59)57-31-11-16-38-64(57)71-65-39-17-12-32-58(65)68)60-34-13-6-24-48(60)46-40-41-54-51(43-46)49-25-4-7-27-52(49)67(54)55-29-9-14-36-62(55)70-63-37-15-10-30-56(63)67/h1-43H
• InChIKey: YQRYPBXWQOZSPU-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-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 138477700) is N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.

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

The canonical SMILES for N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2cccc(N(c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1.

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

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

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

N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-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-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138477700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).