acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))

C38H64N4Ni2O6+4 — CID 153297930

About acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))

acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+)) (PubChem CID 153297930) has the molecular formula C38H64N4Ni2O6+4 and a molecular weight of 790.34 g/mol. Its IUPAC name is acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+)).

Molecular Properties

• Compound Name: acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))
• PubChem CID: 153297930
• Molecular Formula: C38H64N4Ni2O6+4
• Molecular Weight: 790.34 g/mol
• Exact Mass: 788.35
• IUPAC Name: acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))
• SMILES: CC(=O)O.CC(=O)O.CC1(C)CNCc2cc(C(C)(C)C)cc(c2O)CNCC(C)(C)CNCc2cc(C(C)(C)C)cc(c2O)CNC1.[Ni+2].[Ni+2]
• InChI: InChI=1S/C34H56N4O2.2C2H4O2.2Ni/c1-31(2,3)27-11-23-15-35-19-33(7,8)21-37-17-25-13-28(32(4,5)6)14-26(30(25)40)18-38-22-34(9,10)20-36-16-24(12-27)29(23)39;2*1-2(3)4;;/h11-14,35-40H,15-22H2,1-10H3;2*1H3,(H,3,4);;/q;;;2*+2
• InChIKey: TVRSECBNFKGWBV-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 163.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	790.34
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))?

The IUPAC name of acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+)) (CID 153297930) is acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+)).

What is the SMILES notation for acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))?

The canonical SMILES for acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+)) is CC(=O)O.CC(=O)O.CC1(C)CNCc2cc(C(C)(C)C)cc(c2O)CNCC(C)(C)CNCc2cc(C(C)(C)C)cc(c2O)CNC1.[Ni+2].[Ni+2].

What is the InChIKey of acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))?

The InChIKey is TVRSECBNFKGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N4O2.2C2H4O2.2Ni/c1-31(2,3)27-11-23-15-35-19-33(7,8)21-37-17-25-13-28(32(4,5)6)14-26(30(25)40)18-38-22-34(9,10)20-36-16-24(12-27)29(23)39;2*1-2(3)4;;/h11-14,35-40H,15-22H2,1-10H3;2*1H3,(H,3,4);;/q;;;2*+2.

What are the key properties of acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+))?

acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+)) has a molecular weight of 790.34 g/mol, XLogP of 5.99, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;11,23-ditert-butyl-5,5,17,17-tetramethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-1(24),9,11,13(26),21(25),22-hexaene-25,26-diol;bis(nickel(2+)) is sourced from PubChem (CID 153297930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).