5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine

C56H40N4 — CID 59220247

About 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine (PubChem CID 59220247) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine.

Molecular Properties

• Compound Name: 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
• PubChem CID: 59220247
• Molecular Formula: C56H40N4
• Molecular Weight: 768.96 g/mol
• Exact Mass: 768.33
• IUPAC Name: 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
• SMILES: CN1c2ccccc2N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccccc4)c3c2)c2ccccc21
• InChI: InChI=1S/C56H40N4/c1-57-47-20-8-12-24-51(47)59(52-25-13-9-21-48(52)57)41-31-33-44-45(35-41)55(38-17-4-3-5-18-38)43-32-30-42(36-46(43)56(44)40-29-28-37-16-6-7-19-39(37)34-40)60-53-26-14-10-22-49(53)58(2)50-23-11-15-27-54(50)60/h3-36H,1-2H3
• InChIKey: ODRGNNSKFKRTAD-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.96
LogP ≤ 5	15.58
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-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine?

The IUPAC name of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine (CID 59220247) is 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine.

What is the SMILES notation for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine?

The canonical SMILES for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine is CN1c2ccccc2N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccccc4)c3c2)c2ccccc21.

What is the InChIKey of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine?

The InChIKey is ODRGNNSKFKRTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-57-47-20-8-12-24-51(47)59(52-25-13-9-21-48(52)57)41-31-33-44-45(35-41)55(38-17-4-3-5-18-38)43-32-30-42(36-46(43)56(44)40-29-28-37-16-6-7-19-39(37)34-40)60-53-26-14-10-22-49(53)58(2)50-23-11-15-27-54(50)60/h3-36H,1-2H3.

What are the key properties of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine?

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine has a molecular weight of 768.96 g/mol, XLogP of 15.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine is sourced from PubChem (CID 59220247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).