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1315609-59-6 | 1,10-Phenanthroline, 4,7-diphenyl-2,9-bis(1-phenyl-1H-benziMidazol-2-yl)-
CAS No: 1315609-59-6 Catalog No: AG000ZFS MDL No:
Product Description
Catalog Number:
AG000ZFS
Chemical Name:
1,10-Phenanthroline, 4,7-diphenyl-2,9-bis(1-phenyl-1H-benziMidazol-2-yl)-
CAS Number:
1315609-59-6
Molecular Formula:
C50H32N6
Molecular Weight:
716.8293
IUPAC Name:
4,7-diphenyl-2,9-bis(1-phenylbenzimidazol-2-yl)-1,10-phenanthroline
InChI:
InChI=1S/C50H32N6/c1-5-17-33(18-6-1)39-31-43(49-53-41-25-13-15-27-45(41)55(49)35-21-9-3-10-22-35)51-47-37(39)29-30-38-40(34-19-7-2-8-20-34)32-44(52-48(38)47)50-54-42-26-14-16-28-46(42)56(50)36-23-11-4-12-24-36/h1-32H
InChI Key:
JNKDCXPFDNDDAE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(nc2c1ccc1c2nc(cc1c1ccccc1)c1nc2c(n1c1ccccc1)cccc2)c1nc2c(n1c1ccccc1)cccc2
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.269g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
716.848g/mol
Monoisotopic Mass:
716.269g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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