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

C62H39NOS — CID 138476201

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

N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476201) has the molecular formula C62H39NOS and a molecular weight of 846.07 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
• PubChem CID: 138476201
• Molecular Formula: C62H39NOS
• Molecular Weight: 846.07 g/mol
• Exact Mass: 845.28
• IUPAC Name: N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1
• InChI: InChI=1S/C62H39NOS/c1-2-17-40(18-3-1)41-33-35-42(36-34-41)63(43-37-38-49-46(39-43)44-19-4-6-21-47(44)61(49)50-23-8-12-29-56(50)64-57-30-13-9-24-51(57)61)55-28-16-27-54-60(55)45-20-5-7-22-48(45)62(54)52-25-10-14-31-58(52)65-59-32-15-11-26-53(59)62/h1-39H
• InChIKey: BDYZGGGICBXREG-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 12.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.07
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476201) is N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine.

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

The canonical SMILES for N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1.

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

The InChIKey is BDYZGGGICBXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NOS/c1-2-17-40(18-3-1)41-33-35-42(36-34-41)63(43-37-38-49-46(39-43)44-19-4-6-21-47(44)61(49)50-23-8-12-29-56(50)64-57-30-13-9-24-51(57)61)55-28-16-27-54-60(55)45-20-5-7-22-48(45)62(54)52-25-10-14-31-58(52)65-59-32-15-11-26-53(59)62/h1-39H.

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

N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 846.07 g/mol, XLogP of 16.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).