N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine

C66H41NOS — CID 138477059

About N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine

N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138477059) has the molecular formula C66H41NOS and a molecular weight of 896.13 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 138477059
• Molecular Formula: C66H41NOS
• Molecular Weight: 896.13 g/mol
• Exact Mass: 895.29
• IUPAC Name: N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccc3ccc4c(c3c2)-c2ccccc2C42c3ccccc3Sc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C66H41NOS/c1-2-19-42(20-3-1)45-21-6-13-31-57(45)67(58-32-18-30-55-64(58)47-23-5-8-25-50(47)65(55)51-26-9-14-33-59(51)68-60-34-15-10-27-52(60)65)44-39-37-43-38-40-56-63(48(43)41-44)46-22-4-7-24-49(46)66(56)53-28-11-16-35-61(53)69-62-36-17-12-29-54(62)66/h1-41H
• InChIKey: NDZAASXQBYLHBQ-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 12.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.13
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine (CID 138477059) is N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine.

What is the SMILES notation for N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?

The canonical SMILES for N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2ccccc2N(c2ccc3ccc4c(c3c2)-c2ccccc2C42c3ccccc3Sc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?

The InChIKey is NDZAASXQBYLHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NOS/c1-2-19-42(20-3-1)45-21-6-13-31-57(45)67(58-32-18-30-55-64(58)47-23-5-8-25-50(47)65(55)51-26-9-14-33-59(51)68-60-34-15-10-27-52(60)65)44-39-37-43-38-40-56-63(48(43)41-44)46-22-4-7-24-49(46)66(56)53-28-11-16-35-61(53)69-62-36-17-12-29-54(62)66/h1-41H.

What are the key properties of N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine?

N-(2-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 896.13 g/mol, XLogP of 17.27, 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[benzo[c]fluorene-7,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138477059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).