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87803-44-9 | 1-Butanone, 3-(3,5-diphenyl-1H-pyrrol-2-yl)-1-phenyl-
CAS No: 87803-44-9 Catalog No: AG004HEY MDL No:
Product Description
Catalog Number:
AG004HEY
Chemical Name:
1-Butanone, 3-(3,5-diphenyl-1H-pyrrol-2-yl)-1-phenyl-
CAS Number:
87803-44-9
Molecular Formula:
C26H23NO
Molecular Weight:
365.4669
IUPAC Name:
3-(3,5-diphenyl-1H-pyrrol-2-yl)-1-phenylbutan-1-one
InChI:
InChI=1S/C26H23NO/c1-19(17-25(28)22-15-9-4-10-16-22)26-23(20-11-5-2-6-12-20)18-24(27-26)21-13-7-3-8-14-21/h2-16,18-19,27H,17H2,1H3
InChI Key:
MNAVUVQIUUOQBF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(c1[nH]c(cc1c1ccccc1)c1ccccc1)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.476g/mol
Monoisotopic Mass:
365.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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