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Home > Indoles and Oxindole > 152537-89-8
152537-89-8 | 1H-Pyrrole-2,5-dione, 3,4-bis(2-methyl-1H-indol-3-yl)-1-(phenylmethyl)-
CAS No: 152537-89-8 Catalog No: AG007YKY MDL No:
Product Description
Catalog Number:
AG007YKY
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-bis(2-methyl-1H-indol-3-yl)-1-(phenylmethyl)-
CAS Number:
152537-89-8
Molecular Formula:
C29H23N3O2
Molecular Weight:
445.5118
IUPAC Name:
1-benzyl-3,4-bis(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C29H23N3O2/c1-17-24(20-12-6-8-14-22(20)30-17)26-27(25-18(2)31-23-15-9-7-13-21(23)25)29(34)32(28(26)33)16-19-10-4-3-5-11-19/h3-15,30-31H,16H2,1-2H3
InChI Key:
ULQWZZBZVLTFHA-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C(=O)C(=C1c1c(C)[nH]c2c1cccc2)c1c(C)[nH]c2c1cccc2
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.179g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
445.522g/mol
Monoisotopic Mass:
445.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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