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Home > Indoles and Oxindole > 90162-46-2
90162-46-2 | 1H-Indole, 3-[2-(3,3-dimethyl-5-propyl-3H-indol-2-yl)ethenyl]-2-phenyl-
CAS No: 90162-46-2 Catalog No: AG006HWV MDL No:
Product Description
Catalog Number:
AG006HWV
Chemical Name:
1H-Indole, 3-[2-(3,3-dimethyl-5-propyl-3H-indol-2-yl)ethenyl]-2-phenyl-
CAS Number:
90162-46-2
Molecular Formula:
C29H28N2
Molecular Weight:
404.5460
IUPAC Name:
3,3-dimethyl-2-[2-(2-phenyl-1H-indol-3-yl)ethenyl]-5-propylindole
InChI:
InChI=1S/C29H28N2/c1-4-10-20-15-17-26-24(19-20)29(2,3)27(30-26)18-16-23-22-13-8-9-14-25(22)31-28(23)21-11-6-5-7-12-21/h5-9,11-19,31H,4,10H2,1-3H3
InChI Key:
YOERMHPXEXPVPZ-UHFFFAOYSA-N
SMILES:
CCCc1ccc2c(c1)C(C)(C)C(=N2)C=Cc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.225g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.557g/mol
Monoisotopic Mass:
404.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.5
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