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16269-40-2 | 9-Phenanthrenamine, N-9-phenanthrenyl-
CAS No: 16269-40-2 Catalog No: AG001TBD MDL No:
Product Description
Catalog Number:
AG001TBD
Chemical Name:
9-Phenanthrenamine, N-9-phenanthrenyl-
CAS Number:
16269-40-2
Molecular Formula:
C28H19N
Molecular Weight:
369.4572
IUPAC Name:
N-phenanthren-9-ylphenanthren-9-amine
InChI:
InChI=1S/C28H19N/c1-3-11-21-19(9-1)17-27(25-15-7-5-13-23(21)25)29-28-18-20-10-2-4-12-22(20)24-14-6-8-16-26(24)28/h1-18,29H
InChI Key:
VKDYMBSKPSJOQR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(Nc1cc3ccccc3c3c1cccc3)cc1c2cccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.152g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.467g/mol
Monoisotopic Mass:
369.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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