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151026-69-6 | 9,10-Phenanthrenediamine, N9,N10-bis(4-ethylphenyl)-
CAS No: 151026-69-6 Catalog No: AG001N13 MDL No:
Product Description
Catalog Number:
AG001N13
Chemical Name:
9,10-Phenanthrenediamine, N9,N10-bis(4-ethylphenyl)-
CAS Number:
151026-69-6
Molecular Formula:
C30H28N2
Molecular Weight:
416.5567
IUPAC Name:
9-N,10-N-bis(4-ethylphenyl)phenanthrene-9,10-diamine
InChI:
InChI=1S/C30H28N2/c1-3-21-13-17-23(18-14-21)31-29-27-11-7-5-9-25(27)26-10-6-8-12-28(26)30(29)32-24-19-15-22(4-2)16-20-24/h5-20,31-32H,3-4H2,1-2H3
InChI Key:
FXVDLKVQBGXLQF-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)Nc1c(Nc2ccc(cc2)CC)c2ccccc2c2c1cccc2
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.225g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.568g/mol
Monoisotopic Mass:
416.225g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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