Molecule:100632: Difference between revisions

Key (SMILES + RGroups)	N12[Ni+2]34(N5C=CC=CC=5C5N3=C(C=C([])C=5)C3N4=CC=CC=3)3N4C=CC=CC=4C4N3=C(C=C([])C=4)C=1C=CC=C2.F[B-](F)(F)F.F[B-](F)(F)Fr1
SMILES	N12[Ni+2]34(N5C=CC=CC=5C5N3=C(C=C([])C=5)C3N4=CC=CC=3)3N4C=CC=CC=4C4N3=C(C=C([])C=4)C=1C=CC=C2.F[B-](F)(F)F.F[B-](F)(F)F

Latest revision as of 16:07, 23 May 2024

‎

100632

Click here to show SMILES and Molecule-Key.

R-Groups[edit source]

Molecule	Publication	R1
100960	Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts	H
100961	Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts	COOH
100962	Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts	SH

‎

Molecule is used on following pages

publication

Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts

@@ Line 2: / Line 2: @@
 |trivialname=
 |abbrev=
-|molecularFormula=C<sub>30</sub>H<sub>20</sub>*<sub>2</sub>N<sub>6</sub>Ni+<sub>2</sub>
+|molecularFormula=C<sub>30</sub>H<sub>20</sub>*<sub>2</sub>B<sub>2</sub>F<sub>8</sub>N<sub>6</sub>Ni
 |synonyms=
 |hasVendors=
-|moleculeKey=[Ni+2]12(N3=C(C4C=C([*])C=C(C5N1=CC=CC=5)N=42)C=CC=C3)12N3C(C4N1=C(C1=N2C=CC=C1)C=C([*])C=4)=CC=CC=3r1
+|moleculeKey=N12[Ni+2]34(N5C=CC=CC=5C5N3=C(C=C([*])C=5)C3N4=CC=CC=3)3N4C=CC=CC=4C4N3=C(C=C([*])C=4)C=1C=CC=C2.F[B-](F)(F)F.F[B-](F)(F)Fr1
 |molOrRxn=
-   -INDIGO-01122314442D
+   -INDIGO-01102413272D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 39 48 0 0 0
+M  V30 COUNTS 49 56 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 Ni 9.0682 -5.86604 0.0 0 CHG=2
+M  V30 1 N 10.2493 -3.59052 0.0 0
-M  V30 2 C 6.47853 -7.28623 0.0 0
+M  V30 2 C 8.75055 -2.72579 0.0 0
-M  V30 3 N 8.06629 -7.05247 0.0 0
+M  V30 3 C 9.24857 -3.59024 0.0 0
-M  V30 4 C 7.08351 -6.78282 0.0 0
+M  V30 4 C 9.25102 -1.85895 0.0 0
-M  V30 5 C 8.09049 -8.08049 0.0 0
+M  V30 5 C 10.7518 -2.72022 0.0 0
-M  V30 6 C 6.49328 -8.06824 0.0 0
+M  V30 6 C 10.2467 -1.85704 0.0 0
-M  V30 7 C 7.21011 -8.52285 0.0 0
+M  V30 7 C 8.74804 -4.45596 0.0 0
-M  V30 8 C 5.45061 -5.13745 0.0 0
+M  V30 8 C 8.74863 -6.18626 0.0 0
-M  V30 9 C 6.96446 -4.50936 0.0 0
+M  V30 9 N 9.2482 -5.32271 0.0 0
-M  V30 10 C 5.94921 -4.38769 0.0 0
+M  V30 10 C 7.74768 -6.18632 0.0 0
-M  V30 11 N 7.38517 -5.447 0.0 0
+M  V30 11 C 7.74309 -4.45602 0.0 0
-M  V30 12 C 5.85308 -5.89501 0.0 0
+M  V30 12 C 7.24813 -5.32502 0.0 0
-M  V30 13 C 6.82664 -6.02813 0.0 0
+M  V30 13 C 9.24828 -7.05248 0.0 0
-M  V30 14 C 7.59198 -2.90356 0.0 0
+M  V30 14 C 10.7472 -7.91682 0.0 0
-M  V30 15 C 9.12504 -2.93326 0.0 0
+M  V30 15 N 10.249 -7.05251 0.0 0
-M  V30 16 C 8.40821 -2.485 0.0 0
+M  V30 16 C 10.247 -8.78379 0.0 0
-M  V30 17 C 9.20864 -3.80898 0.0 0
+M  V30 17 C 8.74604 -7.92293 0.0 0
-M  V30 18 C 7.64081 -3.87943 0.0 0
+M  V30 18 C 9.25131 -8.78597 0.0 0
-M  V30 19 N 8.6739 -4.32658 0.0 0
+M  V30 19 C 11.7472 -7.91702 0.0 0
-M  V30 20 C 10.4049 -3.55092 0.0 0
+M  V30 20 C 13.2451 -7.05074 0.0 0
-M  V30 21 C 12.0036 -3.45601 0.0 0
+M  V30 21 N 12.2474 -7.05028 0.0 0
-M  V30 22 C 11.2518 -3.07086 0.0 0
+M  V30 22 C 13.7459 -7.91735 0.0 0
-M  V30 23 C 12.0515 -4.28516 0.0 0
+M  V30 23 C 12.2501 -8.78709 0.0 0
-M  V30 24 N 10.3719 -4.53966 0.0 0
+M  V30 24 C 13.2502 -8.78083 0.0 0
-M  V30 25 C 11.3011 -4.83844 0.0 0
+M  V30 25 C 13.7451 -6.18471 0.0 0
-M  V30 26 N 10.5883 -6.18294 0.0 0
+M  V30 26 C 13.7434 -4.45441 0.0 0
-M  V30 27 C 12.2171 -5.96488 0.0 0
+M  V30 27 N 13.2444 -5.31826 0.0 0
-M  V30 28 C 11.3738 -5.57331 0.0 0
+M  V30 28 C 14.7444 -4.45374 0.0 0
-M  V30 29 C 12.2818 -6.7929 0.0 0
+M  V30 29 C 14.75 -6.18403 0.0 0
-M  V30 30 C 10.8376 -7.021 0.0 0
+M  V30 30 C 15.2444 -5.31473 0.0 0
-M  V30 31 C 11.6651 -7.26285 0.0 0
+M  V30 31 C 13.2432 -3.58849 0.0 0
-M  V30 32 C 9.2301 -8.36453 0.0 0
+M  V30 32 C 11.7437 -2.72508 0.0 0
-M  V30 33 C 10.5321 -7.60494 0.0 0
+M  V30 33 N 12.2425 -3.58908 0.0 0
-M  V30 34 N 9.60701 -7.46302 0.0 0
+M  V30 34 C 12.2434 -1.8578 0.0 0
-M  V30 35 C 10.9658 -8.37867 0.0 0
+M  V30 35 C 13.7449 -2.71774 0.0 0
-M  V30 36 C 9.80902 -9.15388 0.0 0
+M  V30 36 C 13.2391 -1.85501 0.0 0
-M  V30 37 C 10.6527 -9.09817 0.0 0
+M  V30 37 R# 16.2444 -5.31473 0.0 0 RGROUPS=(1 1)
-M  V30 38 R# 13.2684 -7.23139 0.0 0 RGROUPS=(1 1)
+M  V30 38 R# 6.24813 -5.32502 0.0 0 RGROUPS=(1 1)
-M  V30 39 R# 4.38431 -5.0832 0.0 0 RGROUPS=(1 1)
+M  V30 39 Ni 11.2493 -5.33155 0.0 0 CHG=2
+M  V30 40 F 15.009 -3.2 0.0 0
+M  V30 41 B 15.875 -2.7 0.0 0 CHG=-1
+M  V30 42 F 15.375 -1.83397 0.0 0
+M  V30 43 F 16.741 -2.2 0.0 0
+M  V30 44 F 16.375 -3.56603 0.0 0
+M  V30 45 F 5.63397 -3.275 0.0 0
+M  V30 46 B 6.5 -2.775 0.0 0 CHG=-1
+M  V30 47 F 6.0 -1.90897 0.0 0
+M  V30 48 F 7.36603 -2.275 0.0 0
+M  V30 49 F 7.0 -3.64103 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 4 2
+M  V30 1 2 3 1
-M  V30 2 2 5 3
+M  V30 2 2 4 2
-M  V30 3 1 2 6
+M  V30 3 1 1 5
-M  V30 4 1 3 4
+M  V30 4 1 2 3
-M  V30 5 2 6 7
+M  V30 5 2 5 6
-M  V30 6 1 7 5
+M  V30 6 1 6 4
-M  V30 7 2 10 8
+M  V30 7 1 3 7
-M  V30 8 2 11 9
+M  V30 8 2 9 7
-M  V30 9 1 8 12
+M  V30 9 2 10 8
-M  V30 10 1 9 10
+M  V30 10 1 7 11
-M  V30 11 2 12 13
+M  V30 11 1 8 9
-M  V30 12 1 13 11
+M  V30 12 2 11 12
-M  V30 13 2 16 14
+M  V30 13 1 12 10
-M  V30 14 2 17 15
+M  V30 14 1 8 13
-M  V30 15 1 14 18
+M  V30 15 2 15 13
-M  V30 16 1 15 16
+M  V30 16 2 16 14
-M  V30 17 2 18 19
+M  V30 17 1 13 17
-M  V30 18 1 19 17
+M  V30 18 1 14 15
-M  V30 19 2 22 20
+M  V30 19 2 17 18
-M  V30 20 2 23 21
+M  V30 20 1 18 16
-M  V30 21 1 20 24
+M  V30 21 2 21 19
-M  V30 22 1 21 22
+M  V30 22 2 22 20
-M  V30 23 2 24 25
+M  V30 23 1 19 23
-M  V30 24 1 25 23
+M  V30 24 1 20 21
-M  V30 25 2 28 26
+M  V30 25 2 23 24
-M  V30 26 2 29 27
+M  V30 26 1 24 22
-M  V30 27 1 26 30
+M  V30 27 1 20 25
-M  V30 28 1 27 28
+M  V30 28 2 27 25
-M  V30 29 2 30 31
+M  V30 29 2 28 26
-M  V30 30 1 31 29
+M  V30 30 1 25 29
-M  V30 31 2 34 32
+M  V30 31 1 26 27
-M  V30 32 2 35 33
+M  V30 32 2 29 30
-M  V30 33 1 32 36
+M  V30 33 1 30 28
-M  V30 34 1 33 34
+M  V30 34 1 26 31
-M  V30 35 2 36 37
+M  V30 35 2 33 31
-M  V30 36 1 37 35
+M  V30 36 2 34 32
-M  V30 37 1 25 28
+M  V30 37 1 31 35
-M  V30 38 1 9 18
+M  V30 38 1 32 33
-M  V30 39 1 13 4
+M  V30 39 2 35 36
-M  V30 40 1 33 30
+M  V30 40 1 36 34
-M  V30 41 1 29 38
+M  V30 41 1 30 37
-M  V30 42 1 8 39
+M  V30 42 1 12 38
-M  V30 43 10 19 1
+M  V30 43 10 1 39
-M  V30 44 10 11 1
+M  V30 44 10 39 9
-M  V30 45 10 3 1
+M  V30 45 10 15 39
-M  V30 46 10 34 1
+M  V30 46 10 39 21
-M  V30 47 10 26 1
+M  V30 47 10 27 39
-M  V30 48 10 24 1
+M  V30 48 10 39 33
+M  V30 49 1 40 41
+M  V30 50 1 41 42
+M  V30 51 1 41 43
+M  V30 52 1 41 44
+M  V30 53 1 45 46
+M  V30 54 1 46 47
+M  V30 55 1 46 48
+M  V30 56 1 46 49
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=[Ni+2]12(N3=C(C4C=C([*])C=C(C5N1=CC=CC=5)N=42)C=CC=C3)12N3C(C4N1=C(C1=N2C=CC=C1)C=C([*])C=4)=CC=CC=3
+|smiles=N12[Ni+2]34(N5C=CC=CC=5C5N3=C(C=C([*])C=5)C3N4=CC=CC=3)3N4C=CC=CC=4C4N3=C(C=C([*])C=4)C=1C=CC=C2.F[B-](F)(F)F.F[B-](F)(F)F
 |inchi=
-|inchikey=[Ni+2]12(N3=C(C4C=C([*])C=C(C5N1=CC=CC=5)N=42)C=CC=C3)12N3C(C4N1=C(C1=N2C=CC=C1)C=C([*])C=4)=CC=CC=3r1
+|inchikey=N12[Ni+2]34(N5C=CC=CC=5C5N3=C(C=C([*])C=5)C3N4=CC=CC=3)3N4C=CC=CC=4C4N3=C(C=C([*])C=4)C=1C=CC=C2.F[B-](F)(F)F.F[B-](F)(F)Fr1
-|width=300px
+|width=200
-|height=[Ni+2]12(N3=C(C4C=C([*])C=C(C5N1=CC=CC=5)N=42)C=CC=C3)12N3C(C4N1=C(C1=N2C=CC=C1)C=C([*])C=4)=CC=CC=3r1
+|height=200
 |float=none
 |parent=
-|molecularMass=522.10919038018
+|molecularMass=696.1161241
 }}
-==R-Groups==
-{{#showMoleculeCollection: }}

Molecule:100632: Difference between revisions

Latest revision as of 16:07, 23 May 2024

R-Groups[edit source]

Molecule is used on following pages

Current site

Topics