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

C34H56N4O2 — CID 58271663

IUPAC11,23-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
SMILESCC1(C)CNCc2cc(C(C)(C)C)cc(c2O)CNCC(C)(C)CNCc2cc(C(C)(C)C)cc(c2O)CNC1
InChIInChI=1S/C34H56N4O2/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/h11-14,35-40H,15-22H2,1-10H3
InChIKeyNPYIWQBVGZTXKK-UHFFFAOYSA-N
MW552.85 g/mol
LogP5.82
Rot. Bonds

About 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

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 (PubChem CID 58271663) has the molecular formula C34H56N4O2 and a molecular weight of 552.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,23-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
PubChem CID58271663
Molecular FormulaC34H56N4O2
Molecular Weight552.85 g/mol
Exact Mass552.44
IUPAC Name11,23-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
SMILESCC1(C)CNCc2cc(C(C)(C)C)cc(c2O)CNCC(C)(C)CNCc2cc(C(C)(C)C)cc(c2O)CNC1
InChIInChI=1S/C34H56N4O2/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/h11-14,35-40H,15-22H2,1-10H3
InChIKeyNPYIWQBVGZTXKK-UHFFFAOYSA-N
XLogP5.82
TPSA88.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500552.85
LogP ≤ 55.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 58271663) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CNCc2cc(C(C)(C)C)cc(c2O)CNCC(C)(C)CNCc2cc(C(C)(C)C)cc(c2O)CNC1.
What is the InChIKey of 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?
The InChIKey is NPYIWQBVGZTXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N4O2/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/h11-14,35-40H,15-22H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 552.85 g/mol, XLogP of 5.82, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58271663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).