9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol

C44H28O9 — CID 158620166

About 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol

9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 158620166) has the molecular formula C44H28O9 and a molecular weight of 700.70 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

• Compound Name: 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
• PubChem CID: 158620166
• Molecular Formula: C44H28O9
• Molecular Weight: 700.70 g/mol
• Exact Mass: 700.17
• IUPAC Name: 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
• SMILES: Oc1c(O)c(O)c2c(-c3ccc4oc5ccccc5c4c3)c3c(O)c(O)c(O)c(O)c3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1O
• InChI: InChI=1S/C44H28O9/c45-37-33-31(23-15-16-30-28(20-23)27-13-7-8-14-29(27)53-30)34-36(40(48)44(52)42(50)38(34)46)32(35(33)39(47)43(51)41(37)49)26-18-24(21-9-3-1-4-10-21)17-25(19-26)22-11-5-2-6-12-22/h1-20,45-52H
• InChIKey: WRFOGZZDFREPDY-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 174.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	700.70
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?

The IUPAC name of 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol (CID 158620166) is 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol.

What is the SMILES notation for 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?

The canonical SMILES for 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(-c3ccc4oc5ccccc5c4c3)c3c(O)c(O)c(O)c(O)c3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2c1O.

What is the InChIKey of 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?

The InChIKey is WRFOGZZDFREPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O9/c45-37-33-31(23-15-16-30-28(20-23)27-13-7-8-14-29(27)53-30)34-36(40(48)44(52)42(50)38(34)46)32(35(33)39(47)43(51)41(37)49)26-18-24(21-9-3-1-4-10-21)17-25(19-26)22-11-5-2-6-12-22/h1-20,45-52H.

What are the key properties of 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?

9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 700.70 g/mol, XLogP of 10.21, 4 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzofuran-2-yl-10-(3,5-diphenylphenyl)anthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 158620166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).