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333771-77-0 | 1H-Imidazole, 2,2'-(1,3-phenylene)bis[4,5-bis(4-methylphenyl)-
CAS No: 333771-77-0 Catalog No: AG007FUW MDL No:
Product Description
Catalog Number:
AG007FUW
Chemical Name:
1H-Imidazole, 2,2'-(1,3-phenylene)bis[4,5-bis(4-methylphenyl)-
CAS Number:
333771-77-0
Molecular Formula:
C40H34N4
Molecular Weight:
570.7248
IUPAC Name:
2-[3-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole
InChI:
InChI=1S/C40H34N4/c1-25-8-16-29(17-9-25)35-36(30-18-10-26(2)11-19-30)42-39(41-35)33-6-5-7-34(24-33)40-43-37(31-20-12-27(3)13-21-31)38(44-40)32-22-14-28(4)15-23-32/h5-24H,1-4H3,(H,41,42)(H,43,44)
InChI Key:
AWONTQCQRISENZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1cccc(c1)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
806
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.278g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
570.74g/mol
Monoisotopic Mass:
570.278g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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