2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran

C42H26O — CID 155334995

About 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran

2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran (PubChem CID 155334995) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran.

Molecular Properties

• Compound Name: 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
• PubChem CID: 155334995
• Molecular Formula: C42H26O
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.20
• IUPAC Name: 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
• SMILES: c1ccc(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc23)cc1
• InChI: InChI=1S/C42H26O/c1-2-12-28(13-3-1)32-19-10-20-37-38-26-31(23-24-39(38)43-42(32)37)41-35-17-8-6-15-33(35)40(34-16-7-9-18-36(34)41)30-22-21-27-11-4-5-14-29(27)25-30/h1-26H
• InChIKey: XXUULOLZSUDLIT-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	12.05
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-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran?

The IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran (CID 155334995) is 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran.

What is the SMILES notation for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran?

The canonical SMILES for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran is c1ccc(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc23)cc1.

What is the InChIKey of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran?

The InChIKey is XXUULOLZSUDLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-12-28(13-3-1)32-19-10-20-37-38-26-31(23-24-39(38)43-42(32)37)41-35-17-8-6-15-33(35)40(34-16-7-9-18-36(34)41)30-22-21-27-11-4-5-14-29(27)25-30/h1-26H.

What are the key properties of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran?

2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran is sourced from PubChem (CID 155334995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).