6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate

C53H65N7O6S — CID 134237753

About 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate

6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate (PubChem CID 134237753) has the molecular formula C53H65N7O6S and a molecular weight of 928.21 g/mol. Its IUPAC name is 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate
• PubChem CID: 134237753
• Molecular Formula: C53H65N7O6S
• Molecular Weight: 928.21 g/mol
• Exact Mass: 927.47
• IUPAC Name: 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCCCCCN(CCCCCCOC(=O)C(=C)C)S(=O)(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc4c5c(cccc35)N(C)C(C)(CCC)N4C)c3ccccc23)cc1
• InChI: InChI=1S/C53H65N7O6S/c1-9-33-53(6)58(7)48-24-20-23-44-47(31-32-49(50(44)48)59(53)8)57-56-46-30-29-45(42-21-14-15-22-43(42)46)55-54-40-25-27-41(28-26-40)67(63,64)60(34-16-10-12-18-36-65-51(61)38(2)3)35-17-11-13-19-37-66-52(62)39(4)5/h14-15,20-32H,2,4,9-13,16-19,33-37H2,1,3,5-8H3/b55-54+,57-56+
• InChIKey: ARBBMGWLCBHZEY-DEKIAYOYSA-N
• XLogP: 13.58
• TPSA: 145.90 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.21
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate?

The IUPAC name of 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate (CID 134237753) is 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate.

What is the SMILES notation for 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate?

The canonical SMILES for 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCN(CCCCCCOC(=O)C(=C)C)S(=O)(=O)c1ccc(/N=N/c2ccc(/N=N/c3ccc4c5c(cccc35)N(C)C(C)(CCC)N4C)c3ccccc23)cc1.

What is the InChIKey of 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate?

The InChIKey is ARBBMGWLCBHZEY-DEKIAYOYSA-N. The full InChI is InChI=1S/C53H65N7O6S/c1-9-33-53(6)58(7)48-24-20-23-44-47(31-32-49(50(44)48)59(53)8)57-56-46-30-29-45(42-21-14-15-22-43(42)46)55-54-40-25-27-41(28-26-40)67(63,64)60(34-16-10-12-18-36-65-51(61)38(2)3)35-17-11-13-19-37-66-52(62)39(4)5/h14-15,20-32H,2,4,9-13,16-19,33-37H2,1,3,5-8H3/b55-54+,57-56+.

What are the key properties of 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate?

6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate has a molecular weight of 928.21 g/mol, XLogP of 13.58, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(2-methylprop-2-enoyloxy)hexyl-[4-[[4-[(1,2,3-trimethyl-2-propylperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]sulfonylamino]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 134237753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).