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188442-36-6 | 1H-Indole, 3,3'-(1-cyclohexene-1,2-diyl)bis[1-hexadecyl-2-methyl-
CAS No: 188442-36-6 Catalog No: AG002GX0 MDL No:
Product Description
Catalog Number:
AG002GX0
Chemical Name:
1H-Indole, 3,3'-(1-cyclohexene-1,2-diyl)bis[1-hexadecyl-2-methyl-
CAS Number:
188442-36-6
Molecular Formula:
C56H88N2
Molecular Weight:
789.3113
IUPAC Name:
1-hexadecyl-3-[2-(1-hexadecyl-2-methylindol-3-yl)cyclohexen-1-yl]-2-methylindole
InChI:
InChI=1S/C56H88N2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-37-45-57-47(3)55(51-41-33-35-43-53(51)57)49-39-31-32-40-50(49)56-48(4)58(54-44-36-34-42-52(54)56)46-38-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-36,41-44H,5-32,37-40,45-46H2,1-4H3
InChI Key:
HJXXHSKQVHDEKQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCn1c(C)c(c2c1cccc2)C1=C(CCCC1)c1c(C)n(c2c1cccc2)CCCCCCCCCCCCCCCC
Properties
Complexity:
981
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.695g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
789.334g/mol
Monoisotopic Mass:
788.695g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21.1
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