[6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene

C28H26N4O3 — CID 175120099

About [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene

[6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene (PubChem CID 175120099) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene.

Molecular Properties

• Compound Name: [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene
• PubChem CID: 175120099
• Molecular Formula: C28H26N4O3
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.20
• IUPAC Name: [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene
• SMILES: CCc1ccc2c(Oc3cc4c(cc3/N=N\c3ccc([N+](=O)[O-])cc3)CCN4)cccc2c1CC
• InChI: InChI=1S/C28H26N4O3/c1-3-18-8-13-24-23(22(18)4-2)6-5-7-27(24)35-28-17-25-19(14-15-29-25)16-26(28)31-30-20-9-11-21(12-10-20)32(33)34/h5-13,16-17,29H,3-4,14-15H2,1-2H3/b31-30-
• InChIKey: ZKLMAJGUYHRFJA-KTMFPKCZSA-N
• XLogP: 8.05
• TPSA: 89.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', '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 [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene?

The IUPAC name of [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene (CID 175120099) is [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene.

What is the SMILES notation for [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene?

The canonical SMILES for [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene is CCc1ccc2c(Oc3cc4c(cc3/N=N\c3ccc([N+](=O)[O-])cc3)CCN4)cccc2c1CC.

What is the InChIKey of [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene?

The InChIKey is ZKLMAJGUYHRFJA-KTMFPKCZSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-3-18-8-13-24-23(22(18)4-2)6-5-7-27(24)35-28-17-25-19(14-15-29-25)16-26(28)31-30-20-9-11-21(12-10-20)32(33)34/h5-13,16-17,29H,3-4,14-15H2,1-2H3/b31-30-.

What are the key properties of [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene?

[6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene has a molecular weight of 466.54 g/mol, XLogP of 8.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(5,6-diethylnaphthalen-1-yl)oxy-2,3-dihydro-1H-indol-5-yl]-(4-nitrophenyl)diazene is sourced from PubChem (CID 175120099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).