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Home > Indoles and Oxindole > 90162-59-7
90162-59-7 | 1H-Indole, 3-[2-(3,3-dimethyl-3H-indol-2-yl)ethenyl]-2-methyl-
CAS No: 90162-59-7 Catalog No: AG006HWS MDL No:
Product Description
Catalog Number:
AG006HWS
Chemical Name:
1H-Indole, 3-[2-(3,3-dimethyl-3H-indol-2-yl)ethenyl]-2-methyl-
CAS Number:
90162-59-7
Molecular Formula:
C21H20N2
Molecular Weight:
300.3969
IUPAC Name:
3,3-dimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indole
InChI:
InChI=1S/C21H20N2/c1-14-15(16-8-4-6-10-18(16)22-14)12-13-20-21(2,3)17-9-5-7-11-19(17)23-20/h4-13,22H,1-3H3/b13-12+
InChI Key:
OJTOZPNKYBRDMH-OUKQBFOZSA-N
SMILES:
Cc1[nH]c2c(c1C=CC1=Nc3c(C1(C)C)cccc3)cccc2
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
300.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.405g/mol
Monoisotopic Mass:
300.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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