5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine

C62H44N4 — CID 59220088

About 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine (PubChem CID 59220088) has the molecular formula C62H44N4 and a molecular weight of 845.06 g/mol. Its IUPAC name is 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine.

Molecular Properties

• Compound Name: 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine
• PubChem CID: 59220088
• Molecular Formula: C62H44N4
• Molecular Weight: 845.06 g/mol
• Exact Mass: 844.36
• IUPAC Name: 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine
• SMILES: CN1c2ccccc2N(c2ccc3c(-c4cccc(-c5ccc6ccccc6c5)c4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccccc4)c3c2)c2ccccc21
• InChI: InChI=1S/C62H44N4/c1-63-53-23-8-12-27-57(53)65(58-28-13-9-24-54(58)63)47-34-36-50-51(39-47)61(42-18-4-3-5-19-42)49-35-33-48(66-59-29-14-10-25-55(59)64(2)56-26-11-15-30-60(56)66)40-52(49)62(50)46-22-16-21-44(38-46)45-32-31-41-17-6-7-20-43(41)37-45/h3-40H,1-2H3
• InChIKey: PFZVIMTUJLKWPS-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.06
LogP ≤ 5	17.25
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-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine?

The IUPAC name of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine (CID 59220088) is 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine.

What is the SMILES notation for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine?

The canonical SMILES for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine is CN1c2ccccc2N(c2ccc3c(-c4cccc(-c5ccc6ccccc6c5)c4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccccc4)c3c2)c2ccccc21.

What is the InChIKey of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine?

The InChIKey is PFZVIMTUJLKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N4/c1-63-53-23-8-12-27-57(53)65(58-28-13-9-24-54(58)63)47-34-36-50-51(39-47)61(42-18-4-3-5-19-42)49-35-33-48(66-59-29-14-10-25-55(59)64(2)56-26-11-15-30-60(56)66)40-52(49)62(50)46-22-16-21-44(38-46)45-32-31-41-17-6-7-20-43(41)37-45/h3-40H,1-2H3.

What are the key properties of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine?

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine has a molecular weight of 845.06 g/mol, XLogP of 17.25, 5 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-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine is sourced from PubChem (CID 59220088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).