2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran

C44H28O — CID 170663547

About 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran

2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 170663547) has the molecular formula C44H28O and a molecular weight of 576.73 g/mol. Its IUPAC name is 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
• PubChem CID: 170663547
• Molecular Formula: C44H28O
• Molecular Weight: 576.73 g/mol
• Exact Mass: 576.24
• IUPAC Name: 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c3ccccc23)c(-c2ccccc2)c1[2H]
• InChI: InChI=1S/C44H28O/c1-3-13-29(14-4-1)31-23-25-41-39(27-31)40-28-32(24-26-42(40)45-41)43-35-19-9-11-21-37(35)44(38-22-12-10-20-36(38)43)34-18-8-7-17-33(34)30-15-5-2-6-16-30/h1-28H/i7D,8D,17D,18D
• InChIKey: HHWKLKOOFCTDKW-CNPLSSMQSA-N
• XLogP: 12.56
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.73
LogP ≤ 5	12.56
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-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?

The IUPAC name of 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 170663547) is 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?

The canonical SMILES for 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3ccc4oc5ccc(-c6ccccc6)cc5c4c3)c3ccccc23)c(-c2ccccc2)c1[2H].

What is the InChIKey of 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?

The InChIKey is HHWKLKOOFCTDKW-CNPLSSMQSA-N. The full InChI is InChI=1S/C44H28O/c1-3-13-29(14-4-1)31-23-25-41-39(27-31)40-28-32(24-26-42(40)45-41)43-35-19-9-11-21-37(35)44(38-22-12-10-20-36(38)43)34-18-8-7-17-33(34)30-15-5-2-6-16-30/h1-28H/i7D,8D,17D,18D.

What are the key properties of 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran?

2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 576.73 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170663547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).