[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene

C24H25IN5O3- — CID 163798769

About [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene

[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene (PubChem CID 163798769) has the molecular formula C24H25IN5O3- and a molecular weight of 558.40 g/mol. Its IUPAC name is [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene.

Molecular Properties

• Compound Name: [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene
• PubChem CID: 163798769
• Molecular Formula: C24H25IN5O3-
• Molecular Weight: 558.40 g/mol
• Exact Mass: 558.10
• IUPAC Name: [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene
• SMILES: COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1/N=N/c1ccc([I-]C(C)C)cc1
• InChI: InChI=1S/C24H25IN5O3/c1-15(2)25-18-7-9-19(10-8-18)26-29-22-13-17(4)21(14-24(22)33-5)28-27-20-11-6-16(3)12-23(20)30(31)32/h6-15H,1-5H3/q-1/b28-27+,29-26+
• InChIKey: LWVIIKDICVSPDW-KPXCSAHWSA-N
• XLogP: 4.72
• TPSA: 101.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.40
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene?

The IUPAC name of [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene (CID 163798769) is [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene.

What is the SMILES notation for [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene?

The canonical SMILES for [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene is COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1/N=N/c1ccc([I-]C(C)C)cc1.

What is the InChIKey of [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene?

The InChIKey is LWVIIKDICVSPDW-KPXCSAHWSA-N. The full InChI is InChI=1S/C24H25IN5O3/c1-15(2)25-18-7-9-19(10-8-18)26-29-22-13-17(4)21(14-24(22)33-5)28-27-20-11-6-16(3)12-23(20)30(31)32/h6-15H,1-5H3/q-1/b28-27+,29-26+.

What are the key properties of [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene?

[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene has a molecular weight of 558.40 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene is sourced from PubChem (CID 163798769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).