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Home > Indoles and Oxindole > 20878-35-7
20878-35-7 | 1H-Isoindole, 3-phenyl-1-[phenyl(3-phenyl-2H-isoindol-1-yl)methylene]-
CAS No: 20878-35-7 Catalog No: AG002JWO MDL No:
Product Description
Catalog Number:
AG002JWO
Chemical Name:
1H-Isoindole, 3-phenyl-1-[phenyl(3-phenyl-2H-isoindol-1-yl)methylene]-
CAS Number:
20878-35-7
Molecular Formula:
C35H24N2
Molecular Weight:
472.5785
IUPAC Name:
1-phenyl-3-[phenyl-(3-phenyl-2H-isoindol-1-yl)methylidene]isoindole
InChI:
InChI=1S/C35H24N2/c1-4-14-24(15-5-1)31(34-29-22-12-10-20-27(29)32(36-34)25-16-6-2-7-17-25)35-30-23-13-11-21-28(30)33(37-35)26-18-8-3-9-19-26/h1-23,36H
InChI Key:
HATRYQSTLGZWOE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(=C1N=C(c2c1cccc2)c1ccccc1)c1[nH]c(c2c1cccc2)c1ccccc1
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.194g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.591g/mol
Monoisotopic Mass:
472.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.8
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