Molecule:100695: Difference between revisions

InChI	1S/C21H16NP.C15H11N3.C2H3N.2F6P.Ru/c1-3-11-18(12-4-1)23(19-13-5-2-6-14-19)20-15-7-9-17-10-8-16-22-21(17)20;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;21-7(2,3,4,5)6;/h1-16H;1-11H;1H3;;;/q;;;2-1;+2
InChI-Key	VHZCMYUABSFYRW-UHFFFAOYSA-N
SMILES	C1C=CC=N2[Ru+2]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC5C=CC=N3C=54)3(N4=C(C5N3=CC=CC=5)C=CC=C4C=12)N#CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	Ru(dppq)(tpy)(MeCN)
Trivialname	n/a
Exact mass	689.12713473018
Molecular formula	C38H30N5PRu+2
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 16:18, 10 January 2024

‎

Ru(dppq)(tpy)(MeCN)

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Function-Integrated Ru Catalyst for Photochemical CO2 Reduction

investigation

Function-Integrated Ru Catalyst for Photochemical CO2 Reduction/Control experiments
Function-Integrated Ru Catalyst for Photochemical CO2 Reduction/Presence of water effect
Function-Integrated Ru Catalyst for Photochemical CO2 Reduction/Hg poisoning
Function-Integrated Ru Catalyst for Photochemical CO2 Reduction/Concentration and solvent effect
Function-Integrated Ru Catalyst for Photochemical CO2 Reduction/Maximum TON

@@ Line 1: / Line 1: @@
 {{Molecule
 |abbrev=Ru(dppq)(tpy)(MeCN)
-|moleculeKey=QZWVZJLRPZIVHD-UHFFFAOYSA-N
+|moleculeKey=VHZCMYUABSFYRW-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-02152309312D
+   -INDIGO-01102416172D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 45 54 0 0 0
+M  V30 COUNTS 59 66 0 0 0
 M  V30 BEGIN ATOM
 M  V30 1 C 3.80734 -5.92117 0.0 0
@@ Line 27: / Line 27: @@
 M  V30 17 N 7.27036 -2.91791 0.0 0
 M  V30 18 C 8.13264 -2.41262 0.0 0
-M  V30 19 C 10.6687 -5.53836 0.0 0
+M  V30 19 C 10.5437 -5.76336 0.0 0
-M  V30 20 C 10.6682 -3.8092 0.0 0
+M  V30 20 C 10.5432 -4.0342 0.0 0
-M  V30 21 N 10.1689 -4.67215 0.0 0
+M  V30 21 N 10.0439 -4.89715 0.0 0
-M  V30 22 C 11.6685 -3.8092 0.0 0
+M  V30 22 C 11.5435 -4.0342 0.0 0
-M  V30 23 C 11.673 -5.53836 0.0 0
+M  V30 23 C 11.548 -5.76336 0.0 0
-M  V30 24 C 12.1677 -4.66996 0.0 0
+M  V30 24 C 12.0427 -4.89496 0.0 0
-M  V30 25 C 12.173 -6.40575 0.0 0
+M  V30 25 C 12.048 -6.63075 0.0 0
-M  V30 26 C 11.671 -7.27582 0.0 0
+M  V30 26 C 11.546 -7.50082 0.0 0
-M  V30 27 C 10.1647 -6.41192 0.0 0
+M  V30 27 C 10.0397 -6.63692 0.0 0
-M  V30 28 C 10.6718 -7.27803 0.0 0
+M  V30 28 C 10.5468 -7.50303 0.0 0
-M  V30 29 P 9.1647 -6.41511 0.0 0
+M  V30 29 P 9.0397 -6.64011 0.0 0
-M  V30 30 C 8.1326 -6.84721 0.0 0
+M  V30 30 C 8.0076 -7.07221 0.0 0
-M  V30 31 C 9.42352 -7.38103 0.0 0
+M  V30 31 C 9.29852 -7.60603 0.0 0
-M  V30 32 C 10.6482 -8.60338 0.0 0
+M  V30 32 C 10.5232 -8.82838 0.0 0
-M  V30 33 C 10.3902 -7.63967 0.0 0
+M  V30 33 C 10.2652 -7.86467 0.0 0
-M  V30 34 C 9.94089 -9.31162 0.0 0
+M  V30 34 C 9.81589 -9.53662 0.0 0
-M  V30 35 C 8.7134 -8.09211 0.0 0
+M  V30 35 C 8.5884 -8.31711 0.0 0
-M  V30 36 C 8.97847 -9.05642 0.0 0
+M  V30 36 C 8.85347 -9.28142 0.0 0
-M  V30 37 C 7.26887 -8.34652 0.0 0
+M  V30 37 C 7.14387 -8.57152 0.0 0
-M  V30 38 C 8.13298 -7.84793 0.0 0
+M  V30 38 C 8.00798 -8.07293 0.0 0
-M  V30 39 C 6.40169 -7.84663 0.0 0
+M  V30 39 C 6.27669 -8.07163 0.0 0
-M  V30 40 C 7.26195 -6.34532 0.0 0
+M  V30 40 C 7.13695 -6.57032 0.0 0
-M  V30 41 C 6.39911 -6.85095 0.0 0
+M  V30 41 C 6.27411 -7.07595 0.0 0
 M  V30 42 Ru 7.475 -4.725 0.0 0 CHG=2
-M  V30 43 N 7.975 -3.85897 0.0 0
+M  V30 43 N 8.725 -3.53397 0.0 0
-M  V30 44 C 8.475 -2.99295 0.0 0
+M  V30 44 C 9.43211 -2.82687 0.0 0
-M  V30 45 C 8.975 -2.12692 0.0 0
+M  V30 45 C 10.1392 -2.11976 0.0 0
+M  V30 46 F 12.484 -2.575 0.0 0
+M  V30 47 P 13.35 -2.075 0.0 0 CHG=-1
+M  V30 48 F 14.216 -2.575 0.0 0
+M  V30 49 F 13.35 -1.075 0.0 0
+M  V30 50 F 14.216 -1.575 0.0 0
+M  V30 51 F 13.35 -3.075 0.0 0
+M  V30 52 F 12.484 -1.575 0.0 0
+M  V30 53 F 13.559 -6.15 0.0 0
+M  V30 54 P 14.425 -5.65 0.0 0 CHG=-1
+M  V30 55 F 15.291 -6.15 0.0 0
+M  V30 56 F 14.425 -4.65 0.0 0
+M  V30 57 F 15.291 -5.15 0.0 0
+M  V30 58 F 14.425 -6.65 0.0 0
+M  V30 59 F 13.559 -5.15 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 110: / Line 124: @@
 M  V30 53 10 21 42
 M  V30 54 10 29 42
+M  V30 55 1 46 47
+M  V30 56 1 47 48
+M  V30 57 1 47 49
+M  V30 58 1 47 50
+M  V30 59 1 47 51
+M  V30 60 1 47 52
+M  V30 61 1 53 54
+M  V30 62 1 54 55
+M  V30 63 1 54 56
+M  V30 64 1 54 57
+M  V30 65 1 54 58
+M  V30 66 1 54 59
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C1C=CC=N2[Ru+2]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC5C=CC=N3C=54)3(N4=C(C5N3=CC=CC=5)C=CC=C4C=12)N#CC
-|inchi=1S/C21H16NP.C15H11N3.C2H3N.Ru/c1-3-11-18(12-4-1)23(19-13-5-2-6-14-19)20-15-7-9-17-10-8-16-22-21(17)20;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;/h1-16H;1-11H;1H3;/q;;;+2
+|smiles=C1C=CC=N2[Ru+2]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC5C=CC=N3C=54)3(N4=C(C5N3=CC=CC=5)C=CC=C4C=12)N#CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
-|inchikey=QZWVZJLRPZIVHD-UHFFFAOYSA-N
+|inchi=1S/C21H16NP.C15H11N3.C2H3N.2F6P.Ru/c1-3-11-18(12-4-1)23(19-13-5-2-6-14-19)20-15-7-9-17-10-8-16-22-21(17)20;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2*1-7(2,3,4,5)6;/h1-16H;1-11H;1H3;;;/q;;;2*-1;+2
+|inchikey=VHZCMYUABSFYRW-UHFFFAOYSA-N
 |width=300px
 |height=200px

Molecule:100695: Difference between revisions

Revision as of 16:18, 10 January 2024

Molecule is used on following pages

Current site

Topics