5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine

C62H48N4 — CID 59220288

About 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine

5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine (PubChem CID 59220288) has the molecular formula C62H48N4 and a molecular weight of 849.09 g/mol. Its IUPAC name is 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

• Compound Name: 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
• PubChem CID: 59220288
• Molecular Formula: C62H48N4
• Molecular Weight: 849.09 g/mol
• Exact Mass: 848.39
• IUPAC Name: 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
• SMILES: Cc1ccc(-c2c3ccc(N4c5ccccc5N(C)c5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N4c5ccccc5N(C)c5ccccc54)cc23)cc1
• InChI: InChI=1S/C62H48N4/c1-39-26-28-40(29-27-39)60-46-34-31-43(66-58-24-14-10-20-54(58)64(5)55-21-11-15-25-59(55)66)38-49(46)61(41-30-33-45-44-16-6-7-17-50(44)62(2,3)51(45)36-41)47-35-32-42(37-48(47)60)65-56-22-12-8-18-52(56)63(4)53-19-9-13-23-57(53)65/h6-38H,1-5H3
• InChIKey: RYRBPFDXEKQTAN-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.09
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine?

The IUPAC name of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine (CID 59220288) is 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine.

What is the SMILES notation for 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine?

The canonical SMILES for 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine is Cc1ccc(-c2c3ccc(N4c5ccccc5N(C)c5ccccc54)cc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc(N4c5ccccc5N(C)c5ccccc54)cc23)cc1.

What is the InChIKey of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine?

The InChIKey is RYRBPFDXEKQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N4/c1-39-26-28-40(29-27-39)60-46-34-31-43(66-58-24-14-10-20-54(58)64(5)55-21-11-15-25-59(55)66)38-49(46)61(41-30-33-45-44-16-6-7-17-50(44)62(2,3)51(45)36-41)47-35-32-42(37-48(47)60)65-56-22-12-8-18-52(56)63(4)53-19-9-13-23-57(53)65/h6-38H,1-5H3.

What are the key properties of 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine?

5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 849.09 g/mol, XLogP of 17.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 59220288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).