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136951-65-0 | Methanone, (3,5-diaminophenyl)[1,1':4',1''-terphenyl]-4-yl- (9CI)
CAS No: 136951-65-0 Catalog No: AG0012LV MDL No:
Product Description
Catalog Number:
AG0012LV
Chemical Name:
Methanone, (3,5-diaminophenyl)[1,1':4',1''-terphenyl]-4-yl- (9CI)
CAS Number:
136951-65-0
Molecular Formula:
C25H20N2O
Molecular Weight:
364.4391
IUPAC Name:
(3,5-diaminophenyl)-[4-(4-phenylphenyl)phenyl]methanone
InChI:
InChI=1S/C25H20N2O/c26-23-14-22(15-24(27)16-23)25(28)21-12-10-20(11-13-21)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-16H,26-27H2
InChI Key:
NKOSLKLDRLLJGG-UHFFFAOYSA-N
SMILES:
Nc1cc(N)cc(c1)C(=O)c1ccc(cc1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.158g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.448g/mol
Monoisotopic Mass:
364.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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