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

Revision as of 13:28, 10 January 2024

‎

100632

Click here to show SMILES and Molecule-Key.

R-Groups

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

‎

R-Groups

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 5: / Line 5: @@
 |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=
 |width=300px
 |height=200px

Molecule:100632: Difference between revisions

Revision as of 13:28, 10 January 2024

R-Groups

R-Groups

Molecule is used on following pages

Current site

Topics