2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran

C59H38O — CID 121421003

About 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran

2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran (PubChem CID 121421003) has the molecular formula C59H38O and a molecular weight of 762.95 g/mol. Its IUPAC name is 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

• Compound Name: 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
• PubChem CID: 121421003
• Molecular Formula: C59H38O
• Molecular Weight: 762.95 g/mol
• Exact Mass: 762.29
• IUPAC Name: 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
• SMILES: CC1(C)c2ccc(-c3ccc4oc5ccc(-c6c7ccccc7c(-c7cc8ccccc8c8ccccc78)c7ccccc67)cc5c4c3)cc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C59H38O/c1-59(2)52-27-24-36(32-51(52)58-41-16-6-3-13-35(41)23-28-53(58)59)37-25-29-54-48(31-37)49-34-39(26-30-55(49)60-54)56-44-19-9-11-21-46(44)57(47-22-12-10-20-45(47)56)50-33-38-14-4-5-15-40(38)42-17-7-8-18-43(42)50/h3-34H,1-2H3
• InChIKey: OZUSVUVPDBFHGU-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.95
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?

The IUPAC name of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran (CID 121421003) is 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran.

What is the SMILES notation for 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?

The canonical SMILES for 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran is CC1(C)c2ccc(-c3ccc4oc5ccc(-c6c7ccccc7c(-c7cc8ccccc8c8ccccc78)c7ccccc67)cc5c4c3)cc2-c2c1ccc1ccccc21.

What is the InChIKey of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?

The InChIKey is OZUSVUVPDBFHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38O/c1-59(2)52-27-24-36(32-51(52)58-41-16-6-3-13-35(41)23-28-53(58)59)37-25-29-54-48(31-37)49-34-39(26-30-55(49)60-54)56-44-19-9-11-21-46(44)57(47-22-12-10-20-45(47)56)50-33-38-14-4-5-15-40(38)42-17-7-8-18-43(42)50/h3-34H,1-2H3.

What are the key properties of 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?

2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran has a molecular weight of 762.95 g/mol, XLogP of 16.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 121421003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).