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Home > Indoles and Oxindole > 199605-23-7
199605-23-7 | 1H-Indole, 3,3'-[(3,4-dimethoxyphenyl)methylene]bis[2-methyl-
CAS No: 199605-23-7 Catalog No: AG002C85 MDL No:
Product Description
Catalog Number:
AG002C85
Chemical Name:
1H-Indole, 3,3'-[(3,4-dimethoxyphenyl)methylene]bis[2-methyl-
CAS Number:
199605-23-7
Molecular Formula:
C27H26N2O2
Molecular Weight:
410.5075
IUPAC Name:
3-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
InChI:
InChI=1S/C27H26N2O2/c1-16-25(19-9-5-7-11-21(19)28-16)27(18-13-14-23(30-3)24(15-18)31-4)26-17(2)29-22-12-8-6-10-20(22)26/h5-15,27-29H,1-4H3
InChI Key:
NJLDHIWSHFQSEO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(c1c(C)[nH]c2c1cccc2)c1c(C)[nH]c2c1cccc2
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.199g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.517g/mol
Monoisotopic Mass:
410.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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