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100486-97-3 | 1,1'-Bi-1H-imidazole, 2,2',4-tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-
CAS No: 100486-97-3 Catalog No: AG00023J MDL No:MFCD08458465
Product Description
Catalog Number:
AG00023J
Chemical Name:
1,1'-Bi-1H-imidazole, 2,2',4-tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-
CAS Number:
100486-97-3
Molecular Formula:
C44H31Cl3N4O2
Molecular Weight:
754.1015
MDL Number:
MFCD08458465
IUPAC Name:
2,4-bis(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-5-(3,4-dimethoxyphenyl)imidazole
InChI:
InChI=1S/C44H31Cl3N4O2/c1-52-37-26-25-30(27-38(37)53-2)42-40(31-19-9-12-22-34(31)45)49-44(33-21-11-14-24-36(33)47)51(42)50-41(29-17-7-4-8-18-29)39(28-15-5-3-6-16-28)48-43(50)32-20-10-13-23-35(32)46/h3-27H,1-2H3
InChI Key:
CCDFGBMWPCTZSG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1c(nc(n1n1c(nc(c1c1ccccc1)c1ccccc1)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
752.151g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
754.108g/mol
Monoisotopic Mass:
752.151g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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