3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline

C53H34N2 — CID 155465522

About 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline

3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline (PubChem CID 155465522) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline.

Molecular Properties

• Compound Name: 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline
• PubChem CID: 155465522
• Molecular Formula: C53H34N2
• Molecular Weight: 698.87 g/mol
• Exact Mass: 698.27
• IUPAC Name: 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline
• SMILES: c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc(-c3ccc4cc5c(cc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2)cc1
• InChI: InChI=1S/C53H34N2/c1-4-16-36(17-5-1)50-51(54-49-30-29-35-15-10-11-24-44(35)52(49)55-50)40-19-14-18-37(31-40)38-27-28-39-34-48-46(33-41(39)32-38)45-25-12-13-26-47(45)53(48,42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-34H
• InChIKey: RVHPAHLCDHJOIY-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.87
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline?

The IUPAC name of 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline (CID 155465522) is 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline.

What is the SMILES notation for 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline?

The canonical SMILES for 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline is c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2cccc(-c3ccc4cc5c(cc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2)cc1.

What is the InChIKey of 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline?

The InChIKey is RVHPAHLCDHJOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-4-16-36(17-5-1)50-51(54-49-30-29-35-15-10-11-24-44(35)52(49)55-50)40-19-14-18-37(31-40)38-27-28-39-34-48-46(33-41(39)32-38)45-25-12-13-26-47(45)53(48,42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-34H.

What are the key properties of 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline?

3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline has a molecular weight of 698.87 g/mol, XLogP of 13.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 155465522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).