N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine

C66H41NO2 — CID 138477050

About N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine

N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine (PubChem CID 138477050) has the molecular formula C66H41NO2 and a molecular weight of 880.06 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine.

Molecular Properties

• Compound Name: N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
• PubChem CID: 138477050
• Molecular Formula: C66H41NO2
• Molecular Weight: 880.06 g/mol
• Exact Mass: 879.31
• IUPAC Name: N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C66H41NO2/c1-2-19-42(20-3-1)46-23-7-13-31-58(46)67(59-32-18-30-56-64(59)47-24-6-8-25-50(47)65(56)52-26-9-14-33-60(52)68-61-34-15-10-27-53(61)65)45-37-38-51-49(41-45)48-39-43-21-4-5-22-44(43)40-57(48)66(51)54-28-11-16-35-62(54)69-63-36-17-12-29-55(63)66/h1-41H
• InChIKey: NHOSSQLPWIBTOZ-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.06
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

The IUPAC name of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine (CID 138477050) is N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine.

What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

The canonical SMILES for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

The InChIKey is NHOSSQLPWIBTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NO2/c1-2-19-42(20-3-1)46-23-7-13-31-58(46)67(59-32-18-30-56-64(59)47-24-6-8-25-50(47)65(56)52-26-9-14-33-60(52)68-61-34-15-10-27-53(61)65)45-37-38-51-49(41-45)48-39-43-21-4-5-22-44(43)40-57(48)66(51)54-28-11-16-35-62(54)69-63-36-17-12-29-55(63)66/h1-41H.

What are the key properties of N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine?

N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine has a molecular weight of 880.06 g/mol, XLogP of 16.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine is sourced from PubChem (CID 138477050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).