1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran

C66H40O — CID 170448220

About 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran

1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran (PubChem CID 170448220) has the molecular formula C66H40O and a molecular weight of 849.05 g/mol. Its IUPAC name is 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
• PubChem CID: 170448220
• Molecular Formula: C66H40O
• Molecular Weight: 849.05 g/mol
• Exact Mass: 848.31
• IUPAC Name: 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc6ccc(-c7c8ccccc8c(-c8cccc9oc%10ccccc%10c89)c8ccccc78)cc6c5)cc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C66H40O/c1-2-15-43(16-3-1)62-50-17-4-6-19-52(50)63(53-20-7-5-18-51(53)62)46-35-31-41-29-33-44(37-48(41)39-46)45-34-30-42-32-36-47(40-49(42)38-45)64-54-21-8-10-23-56(54)65(57-24-11-9-22-55(57)64)59-26-14-28-61-66(59)58-25-12-13-27-60(58)67-61/h1-40H
• InChIKey: WCOFFSLKFJZPNI-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.05
LogP ≤ 5	18.84
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 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The IUPAC name of 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran (CID 170448220) is 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The canonical SMILES for 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc6ccc(-c7c8ccccc8c(-c8cccc9oc%10ccccc%10c89)c8ccccc78)cc6c5)cc4c3)c3ccccc23)cc1.

What is the InChIKey of 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

The InChIKey is WCOFFSLKFJZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40O/c1-2-15-43(16-3-1)62-50-17-4-6-19-52(50)63(53-20-7-5-18-51(53)62)46-35-31-41-29-33-44(37-48(41)39-46)45-34-30-42-32-36-47(40-49(42)38-45)64-54-21-8-10-23-56(54)65(57-24-11-9-22-55(57)64)59-26-14-28-61-66(59)58-25-12-13-27-60(58)67-61/h1-40H.

What are the key properties of 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran?

1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 849.05 g/mol, XLogP of 18.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170448220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).