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Home > Indoles and Oxindole > 766540-96-9
766540-96-9 | 1H-Indole, 5,5'-methylenebis[2-(4-nitrophenyl)-
CAS No: 766540-96-9 Catalog No: AG005AKC MDL No:
Product Description
Catalog Number:
AG005AKC
Chemical Name:
1H-Indole, 5,5'-methylenebis[2-(4-nitrophenyl)-
CAS Number:
766540-96-9
Molecular Formula:
C29H20N4O4
Molecular Weight:
488.4935
IUPAC Name:
2-(4-nitrophenyl)-5-[[2-(4-nitrophenyl)-1H-indol-5-yl]methyl]-1H-indole
InChI:
InChI=1S/C29H20N4O4/c34-32(35)24-7-3-20(4-8-24)28-16-22-14-18(1-11-26(22)30-28)13-19-2-12-27-23(15-19)17-29(31-27)21-5-9-25(10-6-21)33(36)37/h1-12,14-17,30-31H,13H2
InChI Key:
NDYRXBLNAGZSEF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1[nH]c2c(c1)cc(cc2)Cc1ccc2c(c1)cc([nH]2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.148g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.503g/mol
Monoisotopic Mass:
488.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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