(4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene

C32H27N7OS2 — CID 165365238

About (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene

(4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene (PubChem CID 165365238) has the molecular formula C32H27N7OS2 and a molecular weight of 589.75 g/mol. Its IUPAC name is (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene.

Molecular Properties

• Compound Name: (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene
• PubChem CID: 165365238
• Molecular Formula: C32H27N7OS2
• Molecular Weight: 589.75 g/mol
• Exact Mass: 589.17
• IUPAC Name: (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene
• SMILES: CCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4nc5sc(C)cc5s4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C32H27N7OS2/c1-3-4-19-40-25-15-13-24(14-16-25)35-38-29-18-17-28(26-7-5-6-8-27(26)29)37-34-22-9-11-23(12-10-22)36-39-32-33-31-30(42-32)20-21(2)41-31/h5-18,20H,3-4,19H2,1-2H3/b37-34+,38-35+,39-36+
• InChIKey: HRFINTHSXFWLPT-GMHCBVOVSA-N
• XLogP: 12.24
• TPSA: 96.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.75
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene?

The IUPAC name of (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene (CID 165365238) is (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene.

What is the SMILES notation for (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene?

The canonical SMILES for (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene is CCCCOc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4nc5sc(C)cc5s4)cc3)c3ccccc23)cc1.

What is the InChIKey of (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene?

The InChIKey is HRFINTHSXFWLPT-GMHCBVOVSA-N. The full InChI is InChI=1S/C32H27N7OS2/c1-3-4-19-40-25-15-13-24(14-16-25)35-38-29-18-17-28(26-7-5-6-8-27(26)29)37-34-22-9-11-23(12-10-22)36-39-32-33-31-30(42-32)20-21(2)41-31/h5-18,20H,3-4,19H2,1-2H3/b37-34+,38-35+,39-36+.

What are the key properties of (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene?

(4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene has a molecular weight of 589.75 g/mol, XLogP of 12.24, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-butoxyphenyl)-[4-[[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazene is sourced from PubChem (CID 165365238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).