Molecule:100831: Difference between revisions

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molecule
(auto-generated)
(auto-generated)
Line 3: Line 3:
|molecularFormula=C<sub>19</sub>H<sub>20</sub>F<sub>12</sub>N<sub>6</sub>NiP<sub>2</sub>
|molecularFormula=C<sub>19</sub>H<sub>20</sub>F<sub>12</sub>N<sub>6</sub>NiP<sub>2</sub>
|molecularMass=680.03864944
|molecularMass=680.03864944
|moleculeKey=RYRGQBUAMFFNTC-UHFFFAOYSA-M
|moleculeKey=QDSMZTKUFVYRKR-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-02142409382D
   -INDIGO-02142409392D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
Line 38: Line 38:
M  V30 26 Ni 6.975 -6.1 0.0 0 CHG=2
M  V30 26 Ni 6.975 -6.1 0.0 0 CHG=2
M  V30 27 F 10.392 -5.325 0.0 0
M  V30 27 F 10.392 -5.325 0.0 0
M  V30 28 P 11.258 -4.825 0.0 0
M  V30 28 P 11.258 -4.825 0.0 0 CHG=-1
M  V30 29 F 12.124 -5.325 0.0 0
M  V30 29 F 12.124 -5.325 0.0 0
M  V30 30 F 11.258 -3.825 0.0 0 CHG=-1
M  V30 30 F 11.258 -3.825 0.0 0
M  V30 31 F 10.392 -4.325 0.0 0
M  V30 31 F 10.392 -4.325 0.0 0
M  V30 32 F 12.124 -4.325 0.0 0
M  V30 32 F 12.124 -4.325 0.0 0
Line 88: Line 88:
M  V30 34 1 27 28
M  V30 34 1 27 28
M  V30 35 1 28 29
M  V30 35 1 28 29
M  V30 36 10 28 30
M  V30 36 1 28 30
M  V30 37 1 28 31
M  V30 37 1 28 31
M  V30 38 1 28 32
M  V30 38 1 28 32
Line 101: Line 101:
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1C=CC2CN3C=CN4CN5C6[Ni+2](C34)3N=2C=1C1N3=C(CN6C=C5)C=CC=1.FP(F)(F)(F)([F-])F.F[P-](F)(F)(F)(F)F
 
|inchi=1S/C19H20N6.F6P.F5P.FH.Ni/c1-3-16-11-22-7-9-24(13-22)15-25-10-8-23(14-25)12-17-4-2-6-19(21-17)18(5-1)20-16;1-7(2,3,4,5)6;1-6(2,3,4)5;;/h1-10H,11-15H2;;;1H;/q;-1;;;+2/p-1
|smiles=C1C=CC2CN3C=CN4CN5C6[Ni+2](C34)3N=2C=1C1N3=C(CN6C=C5)C=CC=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
|inchikey=RYRGQBUAMFFNTC-UHFFFAOYSA-M
|inchi=1S/C19H20N6.2F6P.Ni/c1-3-16-11-22-7-9-24(13-22)15-25-10-8-23(14-25)12-17-4-2-6-19(21-17)18(5-1)20-16;2*1-7(2,3,4,5)6;/h1-10H,11-15H2;;;/q;2*-1;+2
|inchikey=QDSMZTKUFVYRKR-UHFFFAOYSA-N
|width=200
|width=200
|height=200
|height=200

Revision as of 09:39, 14 February 2024

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation [Ni(bpy-bNHCMe)][PF6]2
Trivialname n/a
Exact mass 680.03864944
Molecular formula C19H20F12N6NiP2
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

[Ni(bpy-bNHCMe)][PF6]2


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