2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]

C51H32S — CID 167178487

About 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]

2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene] (PubChem CID 167178487) has the molecular formula C51H32S and a molecular weight of 676.88 g/mol. Its IUPAC name is 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene].

Molecular Properties

• Compound Name: 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
• PubChem CID: 167178487
• Molecular Formula: C51H32S
• Molecular Weight: 676.88 g/mol
• Exact Mass: 676.22
• IUPAC Name: 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C51H32S/c1-2-14-33(15-3-1)34-26-28-35(29-27-34)49-39-17-4-6-19-41(39)50(42-20-7-5-18-40(42)49)36-30-31-38-37-16-8-9-21-43(37)51(46(38)32-36)44-22-10-12-24-47(44)52-48-25-13-11-23-45(48)51/h1-32H
• InChIKey: HAOUGQWRZZYQEZ-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.88
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]?

The IUPAC name of 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene] (CID 167178487) is 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene].

What is the SMILES notation for 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]?

The canonical SMILES for 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccccc34)cc2)cc1.

What is the InChIKey of 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]?

The InChIKey is HAOUGQWRZZYQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32S/c1-2-14-33(15-3-1)34-26-28-35(29-27-34)49-39-17-4-6-19-41(39)50(42-20-7-5-18-40(42)49)36-30-31-38-37-16-8-9-21-43(37)51(46(38)32-36)44-22-10-12-24-47(44)52-48-25-13-11-23-45(48)51/h1-32H.

What are the key properties of 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]?

2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene] has a molecular weight of 676.88 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene] is sourced from PubChem (CID 167178487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).