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116287-98-0 | 1,10-Phenanthroline, 2,9-bis(4-methylphenyl)-
CAS No: 116287-98-0 Catalog No: AG000C3R MDL No:
Product Description
Catalog Number:
AG000C3R
Chemical Name:
1,10-Phenanthroline, 2,9-bis(4-methylphenyl)-
CAS Number:
116287-98-0
Molecular Formula:
C26H20N2
Molecular Weight:
360.4504
IUPAC Name:
2,9-bis(4-methylphenyl)-1,10-phenanthroline
InChI:
InChI=1S/C26H20N2/c1-17-3-7-19(8-4-17)23-15-13-21-11-12-22-14-16-24(28-26(22)25(21)27-23)20-9-5-18(2)6-10-20/h3-16H,1-2H3
InChI Key:
SSPMNSRSGUOGBH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccc2c(n1)c1nc(ccc1cc2)c1ccc(cc1)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.46g/mol
Monoisotopic Mass:
360.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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