4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran

C126H78O3 — CID 157062382

About 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran

4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 157062382) has the molecular formula C126H78O3 and a molecular weight of 1640.01 g/mol. Its IUPAC name is 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
• PubChem CID: 157062382
• Molecular Formula: C126H78O3
• Molecular Weight: 1640.01 g/mol
• Exact Mass: 1638.60
• IUPAC Name: 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1
• InChI: InChI=1S/3C42H26O/c1-2-12-28-25-30(24-23-27(28)11-1)29-13-9-14-31(26-29)40-33-16-3-5-18-35(33)41(36-19-6-4-17-34(36)40)38-21-10-20-37-32-15-7-8-22-39(32)43-42(37)38;1-2-15-28-27(13-1)14-11-23-29(28)30-16-3-4-18-32(30)40-33-19-5-7-21-35(33)41(36-22-8-6-20-34(36)40)38-25-12-24-37-31-17-9-10-26-39(31)43-42(37)38;1-2-13-28-26-29(25-24-27(28)12-1)30-14-3-4-16-32(30)40-33-17-5-7-19-35(33)41(36-20-8-6-18-34(36)40)38-22-11-21-37-31-15-9-10-23-39(31)43-42(37)38/h3*1-26H
• InChIKey: ABMAGTIAJYYUSL-UHFFFAOYSA-N
• XLogP: 36.14
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1640.01
LogP ≤ 5	36.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

The IUPAC name of 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran (CID 157062382) is 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

The canonical SMILES for 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.

What is the InChIKey of 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

The InChIKey is ABMAGTIAJYYUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H26O/c1-2-12-28-25-30(24-23-27(28)11-1)29-13-9-14-31(26-29)40-33-16-3-5-18-35(33)41(36-19-6-4-17-34(36)40)38-21-10-20-37-32-15-7-8-22-39(32)43-42(37)38;1-2-15-28-27(13-1)14-11-23-29(28)30-16-3-4-18-32(30)40-33-19-5-7-21-35(33)41(36-22-8-6-20-34(36)40)38-25-12-24-37-31-17-9-10-26-39(31)43-42(37)38;1-2-13-28-26-29(25-24-27(28)12-1)30-14-3-4-16-32(30)40-33-17-5-7-19-35(33)41(36-20-8-6-18-34(36)40)38-22-11-21-37-31-15-9-10-23-39(31)43-42(37)38/h3*1-26H.

What are the key properties of 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 1640.01 g/mol, XLogP of 36.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 157062382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).