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114861-87-9 | 1,10-Phenanthroline, 2,9-bis(4-methoxyphenyl)-4-phenyl-
CAS No: 114861-87-9 Catalog No: AG000FDA MDL No:
Product Description
Catalog Number:
AG000FDA
Chemical Name:
1,10-Phenanthroline, 2,9-bis(4-methoxyphenyl)-4-phenyl-
CAS Number:
114861-87-9
Molecular Formula:
C32H24N2O2
Molecular Weight:
468.5452
IUPAC Name:
2,9-bis(4-methoxyphenyl)-4-phenyl-1,10-phenanthroline
InChI:
InChI=1S/C32H24N2O2/c1-35-25-14-8-22(9-15-25)29-19-13-24-12-18-27-28(21-6-4-3-5-7-21)20-30(34-32(27)31(24)33-29)23-10-16-26(36-2)17-11-23/h3-20H,1-2H3
InChI Key:
SFNDTBDANPTRMZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc2c(n1)c1nc(cc(c1cc2)c1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.184g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.556g/mol
Monoisotopic Mass:
468.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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