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

C68H43NOS — CID 138476202

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

N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476202) has the molecular formula C68H43NOS and a molecular weight of 922.17 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
• PubChem CID: 138476202
• Molecular Formula: C68H43NOS
• Molecular Weight: 922.17 g/mol
• Exact Mass: 921.31
• IUPAC Name: N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C68H43NOS/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)47-37-39-48(40-38-47)69(49-41-42-55-52(43-49)50-19-4-6-21-53(50)67(55)56-23-8-12-29-62(56)70-63-30-13-9-24-57(63)67)61-28-16-27-60-66(61)51-20-5-7-22-54(51)68(60)58-25-10-14-31-64(58)71-65-32-15-11-26-59(65)68/h1-43H
• InChIKey: CVEBOBSOHFIEDN-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 12.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.17
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476202) is N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine.

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

The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3)cc2)cc1.

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

The InChIKey is CVEBOBSOHFIEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NOS/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)47-37-39-48(40-38-47)69(49-41-42-55-52(43-49)50-19-4-6-21-53(50)67(55)56-23-8-12-29-62(56)70-63-30-13-9-24-57(63)67)61-28-16-27-60-66(61)51-20-5-7-22-54(51)68(60)58-25-10-14-31-64(58)71-65-32-15-11-26-59(65)68/h1-43H.

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

N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 922.17 g/mol, XLogP of 17.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).