2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline

C102H66N4 — CID 157197876

About 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline

2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline (PubChem CID 157197876) has the molecular formula C102H66N4 and a molecular weight of 1347.68 g/mol. Its IUPAC name is 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline.

Molecular Properties

• Compound Name: 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
• PubChem CID: 157197876
• Molecular Formula: C102H66N4
• Molecular Weight: 1347.68 g/mol
• Exact Mass: 1346.53
• IUPAC Name: 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
• SMILES: c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C53H34N2.C49H32N2/c1-4-15-37(16-5-1)50-51(55-52-44-21-11-10-14-36(44)30-33-48(52)54-50)38-26-24-35(25-27-38)39-28-31-43-40(34-39)29-32-46-45-22-12-13-23-47(45)53(49(43)46,41-17-6-2-7-18-41)42-19-8-3-9-20-42;1-4-14-34(15-5-1)47-48(51-45-23-13-12-22-44(45)50-47)35-26-24-33(25-27-35)36-28-30-40-37(32-36)29-31-42-41-20-10-11-21-43(41)49(46(40)42,38-16-6-2-7-17-38)39-18-8-3-9-19-39/h1-34H;1-32H
• InChIKey: AQLOTPLVXAIWIQ-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1347.68
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline?

The IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline (CID 157197876) is 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline.

What is the SMILES notation for 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline?

The canonical SMILES for 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline is c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c5c(ccc4c3)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline?

The InChIKey is AQLOTPLVXAIWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.C49H32N2/c1-4-15-37(16-5-1)50-51(55-52-44-21-11-10-14-36(44)30-33-48(52)54-50)38-26-24-35(25-27-38)39-28-31-43-40(34-39)29-32-46-45-22-12-13-23-47(45)53(49(43)46,41-17-6-2-7-18-41)42-19-8-3-9-20-42;1-4-14-34(15-5-1)47-48(51-45-23-13-12-22-44(45)50-47)35-26-24-33(25-27-35)36-28-30-40-37(32-36)29-31-42-41-20-10-11-21-43(41)49(46(40)42,38-16-6-2-7-17-38)39-18-8-3-9-19-39/h1-34H;1-32H.

What are the key properties of 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline?

2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline has a molecular weight of 1347.68 g/mol, XLogP of 25.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline is sourced from PubChem (CID 157197876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).