6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline

C64H46N2 — CID 59196250

About 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline

6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline (PubChem CID 59196250) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline.

Molecular Properties

• Compound Name: 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline
• PubChem CID: 59196250
• Molecular Formula: C64H46N2
• Molecular Weight: 843.09 g/mol
• Exact Mass: 842.37
• IUPAC Name: 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21
• InChI: InChI=1S/C64H46N2/c1-63(2)54-26-16-14-22-46(54)51-36-43(29-33-55(51)63)60-49-24-12-11-23-48(49)59(44-30-34-57-58(38-44)66-62(40-19-9-6-10-20-40)61(65-57)39-17-7-5-8-18-39)50-32-28-41(35-52(50)60)42-27-31-47-45-21-13-15-25-53(45)64(3,4)56(47)37-42/h5-38H,1-4H3
• InChIKey: CGLJPAAVOIERLA-UHFFFAOYSA-N
• XLogP: 16.88
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.09
LogP ≤ 5	16.88
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 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline?

The IUPAC name of 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline (CID 59196250) is 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline.

What is the SMILES notation for 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline?

The canonical SMILES for 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc34)ccc21.

What is the InChIKey of 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline?

The InChIKey is CGLJPAAVOIERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)54-26-16-14-22-46(54)51-36-43(29-33-55(51)63)60-49-24-12-11-23-48(49)59(44-30-34-57-58(38-44)66-62(40-19-9-6-10-20-40)61(65-57)39-17-7-5-8-18-39)50-32-28-41(35-52(50)60)42-27-31-47-45-21-13-15-25-53(45)64(3,4)56(47)37-42/h5-38H,1-4H3.

What are the key properties of 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline?

6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline has a molecular weight of 843.09 g/mol, XLogP of 16.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-2,3-diphenylquinoxaline is sourced from PubChem (CID 59196250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).