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156953-91-2 | 1,18-Diazoniatricyclo[31.3.1.114,18]octatriaconta-1(37),14,16,18(38),33,35-hexaene
CAS No: 156953-91-2 Catalog No: AG001P3X MDL No:
Product Description
Catalog Number:
AG001P3X
Chemical Name:
1,18-Diazoniatricyclo[31.3.1.114,18]octatriaconta-1(37),14,16,18(38),33,35-hexaene
CAS Number:
156953-91-2
Molecular Formula:
C36H60N2++
Molecular Weight:
520.8750
IUPAC Name:
1,18-diazoniatricyclo[31.3.1.114,18]octatriaconta-1(36),14(38),15,17,33(37),34-hexaene
InChI:
InChI=1S/C36H60N2/c1-2-5-9-13-17-21-29-37-31-24-28-36(34-37)26-20-16-12-8-4-6-10-14-18-22-30-38-32-23-27-35(33-38)25-19-15-11-7-3-1/h23-24,27-28,31-34H,1-22,25-26,29-30H2/q+2
InChI Key:
DYVZFRUJFVGVJO-UHFFFAOYSA-N
SMILES:
C1CCCCCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cc(CCCCCC1)ccc2
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.476g/mol
Formal Charge:
2
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.89g/mol
Monoisotopic Mass:
520.476g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
Literature
| Title | Journal |
|---|---|
| Discovery of SCH446211 (SCH6): a new ketoamide inhibitor of the HCV NS3 serine protease and HCV subgenomic RNA replication. | Journal of medicinal chemistry 20060504 |
| Ingenamine G and cyclostellettamines G-I, K, and L from the new Brazilian species of marine sponge Pachychalina sp. | Journal of natural products 20041001 |
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