2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline

C60H36N2 — CID 58687544

About 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline

2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline (PubChem CID 58687544) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline.

Molecular Properties

• Compound Name: 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline
• PubChem CID: 58687544
• Molecular Formula: C60H36N2
• Molecular Weight: 784.96 g/mol
• Exact Mass: 784.29
• IUPAC Name: 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline
• SMILES: C1=CC2c3cccc4c(-c5ccc(-c6c7ccccc7c(-c7ccc8c9c(cccc79)-c7ccccc7-8)c7ccc(-c8cnc9ccccc9n8)cc67)cc5)ccc(c34)C2C=C1
• InChI: InChI=1S/C60H36N2/c1-3-13-41-39(11-1)44-18-9-17-43-38(29-30-49(41)58(43)44)35-23-25-36(26-24-35)57-46-15-5-6-16-47(46)60(51-32-31-50-42-14-4-2-12-40(42)45-19-10-20-48(51)59(45)50)52-28-27-37(33-53(52)57)56-34-61-54-21-7-8-22-55(54)62-56/h1-34,39,41H
• InChIKey: MPCRVJZZRNASES-UHFFFAOYSA-N
• XLogP: 15.86
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.96
LogP ≤ 5	15.86
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 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline?

The IUPAC name of 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline (CID 58687544) is 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline.

What is the SMILES notation for 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline?

The canonical SMILES for 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline is C1=CC2c3cccc4c(-c5ccc(-c6c7ccccc7c(-c7ccc8c9c(cccc79)-c7ccccc7-8)c7ccc(-c8cnc9ccccc9n8)cc67)cc5)ccc(c34)C2C=C1.

What is the InChIKey of 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline?

The InChIKey is MPCRVJZZRNASES-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-3-13-41-39(11-1)44-18-9-17-43-38(29-30-49(41)58(43)44)35-23-25-36(26-24-35)57-46-15-5-6-16-47(46)60(51-32-31-50-42-14-4-2-12-40(42)45-19-10-20-48(51)59(45)50)52-28-27-37(33-53(52)57)56-34-61-54-21-7-8-22-55(54)62-56/h1-34,39,41H.

What are the key properties of 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline?

2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline has a molecular weight of 784.96 g/mol, XLogP of 15.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(6b,10a-dihydrofluoranthen-3-yl)phenyl]-10-fluoranthen-3-ylanthracen-2-yl]quinoxaline is sourced from PubChem (CID 58687544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).