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Home > Indoles and Oxindole > 18120-22-4
18120-22-4 | 1H-Isoindole, 3-phenyl-1-[(3-phenyl-2H-isoindol-1-yl)methylene]-
CAS No: 18120-22-4 Catalog No: AG0022QN MDL No:
Product Description
Catalog Number:
AG0022QN
Chemical Name:
1H-Isoindole, 3-phenyl-1-[(3-phenyl-2H-isoindol-1-yl)methylene]-
CAS Number:
18120-22-4
Molecular Formula:
C29H20N2
Molecular Weight:
396.4825
IUPAC Name:
1-phenyl-3-[(3-phenyl-2H-isoindol-1-yl)methylidene]isoindole
InChI:
InChI=1S/C29H20N2/c1-3-11-20(12-4-1)28-24-17-9-7-15-22(24)26(30-28)19-27-23-16-8-10-18-25(23)29(31-27)21-13-5-2-6-14-21/h1-19,30H
InChI Key:
GEKHMBASLIZQEF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NC(=Cc2[nH]c(c3c2cccc3)c2ccccc2)c2c1cccc2
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.163g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.493g/mol
Monoisotopic Mass:
396.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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