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96682-60-9 | 4,7-Phenanthroline, 1-phenyl-3-(6-quinolinyl)-
CAS No: 96682-60-9 Catalog No: AG005T3A MDL No:
Product Description
Catalog Number:
AG005T3A
Chemical Name:
4,7-Phenanthroline, 1-phenyl-3-(6-quinolinyl)-
CAS Number:
96682-60-9
Molecular Formula:
C27H17N3
Molecular Weight:
383.4440
IUPAC Name:
1-phenyl-3-quinolin-6-yl-4,7-phenanthroline
InChI:
InChI=1S/C27H17N3/c1-2-6-18(7-3-1)22-17-26(20-10-11-23-19(16-20)8-4-14-28-23)30-25-13-12-24-21(27(22)25)9-5-15-29-24/h1-17H
InChI Key:
NZFKIYFWZPYGEG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cc(nc2c1c1cccnc1cc2)c1ccc2c(c1)cccn2
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.142g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.454g/mol
Monoisotopic Mass:
383.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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