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Home > Indoles and Oxindole > 112528-81-1
112528-81-1 | 1H-Indole, 3,3',3''-methylidynetris[1,2-dimethyl-
CAS No: 112528-81-1 Catalog No: AG0082D9 MDL No:
Product Description
Catalog Number:
AG0082D9
Chemical Name:
1H-Indole, 3,3',3''-methylidynetris[1,2-dimethyl-
CAS Number:
112528-81-1
Molecular Formula:
C31H31N3
Molecular Weight:
445.5979
IUPAC Name:
3-[bis(1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
InChI:
InChI=1S/C31H31N3/c1-19-28(22-13-7-10-16-25(22)32(19)4)31(29-20(2)33(5)26-17-11-8-14-23(26)29)30-21(3)34(6)27-18-12-9-15-24(27)30/h7-18,31H,1-6H3
InChI Key:
IEAXYXDXVIMBTF-UHFFFAOYSA-N
SMILES:
Cn1c(C)c(c2c1cccc2)C(c1c(C)n(c2c1cccc2)C)c1c(C)n(c2c1cccc2)C
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.252g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.61g/mol
Monoisotopic Mass:
445.252g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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