7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C44H28O2 — CID 174307576

About 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 174307576) has the molecular formula C44H28O2 and a molecular weight of 588.71 g/mol. Its IUPAC name is 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 174307576
• Molecular Formula: C44H28O2
• Molecular Weight: 588.71 g/mol
• Exact Mass: 588.21
• IUPAC Name: 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: Cc1oc2cc3cc(-c4c5ccccc5c(-c5cccc6oc7c8ccccc8ccc7c56)c5ccccc45)ccc3cc2c1C
• InChI: InChI=1S/C44H28O2/c1-25-26(2)45-40-24-30-22-29(19-18-28(30)23-38(25)40)41-32-12-5-7-14-34(32)42(35-15-8-6-13-33(35)41)36-16-9-17-39-43(36)37-21-20-27-10-3-4-11-31(27)44(37)46-39/h3-24H,1-2H3
• InChIKey: UOCHTMPCZGILIV-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.71
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 174307576) is 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is Cc1oc2cc3cc(-c4c5ccccc5c(-c5cccc6oc7c8ccccc8ccc7c56)c5ccccc45)ccc3cc2c1C.

What is the InChIKey of 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is UOCHTMPCZGILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O2/c1-25-26(2)45-40-24-30-22-29(19-18-28(30)23-38(25)40)41-32-12-5-7-14-34(32)42(35-15-8-6-13-33(35)41)36-16-9-17-39-43(36)37-21-20-27-10-3-4-11-31(27)44(37)46-39/h3-24H,1-2H3.

What are the key properties of 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 588.71 g/mol, XLogP of 12.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-(2,3-dimethylbenzo[f][1]benzofuran-7-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 174307576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).