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120096-06-2 | 1,10-Phenanthroline, 2,2'-(1,2-ethanediyl)bis[9-methyl-
CAS No: 120096-06-2 Catalog No: AG000Q9Y MDL No:
Product Description
Catalog Number:
AG000Q9Y
Chemical Name:
1,10-Phenanthroline, 2,2'-(1,2-ethanediyl)bis[9-methyl-
CAS Number:
120096-06-2
Molecular Formula:
C28H22N4
Molecular Weight:
414.5011
IUPAC Name:
2-methyl-9-[2-(9-methyl-1,10-phenanthrolin-2-yl)ethyl]-1,10-phenanthroline
InChI:
InChI=1S/C28H22N4/c1-17-3-5-19-7-9-21-11-13-23(31-27(21)25(19)29-17)15-16-24-14-12-22-10-8-20-6-4-18(2)30-26(20)28(22)32-24/h3-14H,15-16H2,1-2H3
InChI Key:
ULPRXEWUMBQXLI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c1nc(CCc3ccc4c(n3)c3nc(C)ccc3cc4)ccc1cc2
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.184g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.512g/mol
Monoisotopic Mass:
414.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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