5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine

C32H32ClN5O — CID 66805872

About 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine

5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66805872) has the molecular formula C32H32ClN5O and a molecular weight of 538.10 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine
• PubChem CID: 66805872
• Molecular Formula: C32H32ClN5O
• Molecular Weight: 538.10 g/mol
• Exact Mass: 537.23
• IUPAC Name: 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine
• SMILES: COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4cc(C)ccc4nc-3cc2Nc2ccc(C)nc2)CC1
• InChI: InChI=1S/C32H32ClN5O/c1-20-4-15-27-31(16-20)38(25-11-6-22(33)7-12-25)32-18-29(35-23-9-13-26(39-3)14-10-23)28(17-30(32)37-27)36-24-8-5-21(2)34-19-24/h4-8,11-12,15-19,23,26,36H,9-10,13-14H2,1-3H3/b35-29+
• InChIKey: VBKMSZJBJYHCDF-OZMGXUMRSA-N
• XLogP: 7.40
• TPSA: 64.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.10
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?

The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine (CID 66805872) is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine.

What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?

The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine is COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4cc(C)ccc4nc-3cc2Nc2ccc(C)nc2)CC1.

What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?

The InChIKey is VBKMSZJBJYHCDF-OZMGXUMRSA-N. The full InChI is InChI=1S/C32H32ClN5O/c1-20-4-15-27-31(16-20)38(25-11-6-22(33)7-12-25)32-18-29(35-23-9-13-26(39-3)14-10-23)28(17-30(32)37-27)36-24-8-5-21(2)34-19-24/h4-8,11-12,15-19,23,26,36H,9-10,13-14H2,1-3H3/b35-29+.

What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine?

5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 538.10 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66805872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).