[4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene

C26H28N8O3 — CID 134530520

About [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene

[4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene (PubChem CID 134530520) has the molecular formula C26H28N8O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene.

Molecular Properties

• Compound Name: [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene
• PubChem CID: 134530520
• Molecular Formula: C26H28N8O3
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.23
• IUPAC Name: [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene
• SMILES: CCC(CCN=[N+]=[N-])c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1
• InChI: InChI=1S/C26H28N8O3/c1-5-19(12-13-28-33-27)20-7-9-21(10-8-20)29-32-24-15-18(3)23(16-26(24)37-4)31-30-22-11-6-17(2)14-25(22)34(35)36/h6-11,14-16,19H,5,12-13H2,1-4H3/b31-30+,32-29+
• InChIKey: NWAPBNWJNDGNIW-JUVFNHDTSA-N
• XLogP: 9.25
• TPSA: 150.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene?

The IUPAC name of [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene (CID 134530520) is [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene.

What is the SMILES notation for [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene?

The canonical SMILES for [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene is CCC(CCN=[N+]=[N-])c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1.

What is the InChIKey of [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene?

The InChIKey is NWAPBNWJNDGNIW-JUVFNHDTSA-N. The full InChI is InChI=1S/C26H28N8O3/c1-5-19(12-13-28-33-27)20-7-9-21(10-8-20)29-32-24-15-18(3)23(16-26(24)37-4)31-30-22-11-6-17(2)14-25(22)34(35)36/h6-11,14-16,19H,5,12-13H2,1-4H3/b31-30+,32-29+.

What are the key properties of [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene?

[4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene has a molecular weight of 500.56 g/mol, XLogP of 9.25, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene is sourced from PubChem (CID 134530520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).