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10132-05-5 | Phthalazine, 1,4-diphenyl-
CAS No: 10132-05-5 Catalog No: AG000487 MDL No:
Product Description
Catalog Number:
AG000487
Chemical Name:
Phthalazine, 1,4-diphenyl-
CAS Number:
10132-05-5
Molecular Formula:
C20H14N2
Molecular Weight:
282.3386
IUPAC Name:
1,4-diphenylphthalazine
InChI:
InChI=1S/C20H14N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(22-21-19)16-11-5-2-6-12-16/h1-14H
InChI Key:
VKESBMWUAJUZPK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(nnc2c1ccccc1)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.346g/mol
Monoisotopic Mass:
282.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| First-principles studies on the efficient photoluminescent iridium(III) complexes with C^N═N ligands. | Inorganic chemistry 20110620 |
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