N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide

C37H29N7O8S2 — CID 135978892

About N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide

N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide (PubChem CID 135978892) has the molecular formula C37H29N7O8S2 and a molecular weight of 763.81 g/mol. Its IUPAC name is N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide
• PubChem CID: 135978892
• Molecular Formula: C37H29N7O8S2
• Molecular Weight: 763.81 g/mol
• Exact Mass: 763.15
• IUPAC Name: N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide
• SMILES: Cc1cc(/N=N/c2c(SOOO)cc3cc(NC(=O)c4ccccc4)ccc3c2O)c(C)cc1/N=N/c1ccc(/N=N/c2ccc(SOOO)cc2)cc1
• InChI: InChI=1S/C37H29N7O8S2/c1-22-19-33(23(2)18-32(22)42-41-27-10-8-26(9-11-27)39-40-28-12-15-30(16-13-28)53-51-49-47)43-44-35-34(54-52-50-48)21-25-20-29(14-17-31(25)36(35)45)38-37(46)24-6-4-3-5-7-24/h3-21,45,47-48H,1-2H3,(H,38,46)/b40-39+,42-41+,44-43+
• InChIKey: JUCWMMBTLOXUJW-MFHZMZLOSA-N
• XLogP: 12.52
• TPSA: 200.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	763.81
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide?

The IUPAC name of N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide (CID 135978892) is N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide.

What is the SMILES notation for N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide?

The canonical SMILES for N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide is Cc1cc(/N=N/c2c(SOOO)cc3cc(NC(=O)c4ccccc4)ccc3c2O)c(C)cc1/N=N/c1ccc(/N=N/c2ccc(SOOO)cc2)cc1.

What is the InChIKey of N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide?

The InChIKey is JUCWMMBTLOXUJW-MFHZMZLOSA-N. The full InChI is InChI=1S/C37H29N7O8S2/c1-22-19-33(23(2)18-32(22)42-41-27-10-8-26(9-11-27)39-40-28-12-15-30(16-13-28)53-51-49-47)43-44-35-34(54-52-50-48)21-25-20-29(14-17-31(25)36(35)45)38-37(46)24-6-4-3-5-7-24/h3-21,45,47-48H,1-2H3,(H,38,46)/b40-39+,42-41+,44-43+.

What are the key properties of N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide?

N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide has a molecular weight of 763.81 g/mol, XLogP of 12.52, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[2,5-dimethyl-4-[[4-[[4-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-5-hydroxy-7-(trioxidanylsulfanyl)naphthalen-2-yl]benzamide is sourced from PubChem (CID 135978892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).