Molecule:100987: Difference between revisions

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|trivialname=
|trivialname=
|abbrev=
|abbrev=
|molecularFormula=C<sub>65</sub>H<sub>48</sub>CuN<sub>2</sub>O<sub>13</sub>P<sub>2</sub>S<sub>4</sub>-<sub>4</sub>
|molecularFormula=
|molecularMass=1317.0832386756
|molecularMass=
|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=PDVCFPPNDZGLBQ-UHFFFAOYSA-L
|moleculeKey=GPJHXPCFGPLTHZ-UHFFFAOYSA-L
|molOrRxn=
|molOrRxn=
   -INDIGO-12112415042D
   -INDIGO-01102515402D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 87 100 10 0 0
M  V30 COUNTS 96 104 6 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C -2.56114 1.6625 0.0 0
M  V30 1 C -2.56114 1.6625 0.0 0
Line 30: Line 30:
M  V30 15 C -0.410401 2.07581 0.0 0
M  V30 15 C -0.410401 2.07581 0.0 0
M  V30 16 C -0.410401 -2.0635 0.0 0
M  V30 16 C -0.410401 -2.0635 0.0 0
M  V30 17 Cu 1.45104 -0.076391 0.0 0
M  V30 17 Cu 1.45104 -0.076391 0.0 0 CHG=1
M  V30 18 C 6.5811 0.015442 0.0 0
M  V30 18 C 6.5811 0.015442 0.0 0
M  V30 19 C 6.1671 0.458868 0.0 0
M  V30 19 C 6.1671 0.458868 0.0 0
Line 101: Line 101:
M  V30 86 O -4.40356 -0.108505 0.0 0
M  V30 86 O -4.40356 -0.108505 0.0 0
M  V30 87 O -4.70426 -1.23083 0.0 0 CHG=-1
M  V30 87 O -4.70426 -1.23083 0.0 0 CHG=-1
M  V30 88 B 1.21699 -3.525 0.0 0 CHG=-1
M  V30 89 F 2.08301 -3.025 0.0 0
M  V30 90 F 1.21699 -2.525 0.0 0
M  V30 91 F 0.251061 -3.78382 0.0 0
M  V30 92 F 1.92409 -4.23211 0.0 0
M  V30 93 Na 8.1 2.5 0.0 0 CHG=1
M  V30 94 Na 7.875 -1.975 0.0 0 CHG=1
M  V30 95 Na -4.625 -1.75 0.0 0 CHG=1
M  V30 96 Na -4.5 1.925 0.0 0 CHG=1
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 203: Line 212:
M  V30 99 8 4 17
M  V30 99 8 4 17
M  V30 100 8 14 17
M  V30 100 8 14 17
M  V30 101 1 88 89
M  V30 102 1 88 90
M  V30 103 1 88 91
M  V30 104 1 88 92
M  V30 END BOND
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 BEGIN SGROUP
Line 229: Line 242:
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000) LABEL=Ph
M  V30 0.000000) LABEL=Ph
M  V30 7 SUP 7 ATOMS=(4 72 73 74 75) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL="SO3-"
M  V30 8 SUP 8 ATOMS=(4 76 77 78 79) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL="SO3-"
M  V30 9 SUP 9 ATOMS=(4 80 81 82 83) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
M  V30 00) LABEL="SO3-"
M  V30 10 SUP 10 ATOMS=(4 84 85 86 87) BRKXYZ=(9 0.000000 0.000000 0.000000 0-
M  V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00-
M  V30 0000) LABEL="SO3-"
M  V30 END SGROUP
M  V30 END SGROUP
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1(C=C(C)N2~[Cu](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1
|smiles=C1(C=C(C)N2~[Cu+](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1.[B-](F)(F)(F)F.[Na+].[Na+].[Na+].[Na+]
|inchi=1S/C39H32O7P2S2.C26H20N2O6S2.Cu/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18;/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45);3-14H,1-2H3,(H,29,30,31)(H,32,33,34);/q;;-2/p-2
|inchi=1S/C39H32O7P2S2.C26H20N2O6S2.BF4.Cu.4Na/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18;2-1(3,4)5;;;;;/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45);3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;;;;;/q;;2*-1;4*+1/p-2
|inchikey=PDVCFPPNDZGLBQ-UHFFFAOYSA-L
|inchikey=GPJHXPCFGPLTHZ-UHFFFAOYSA-L
|width=300px
|width=200
|height=200px
|height=200
|float=none
|float=none
|parent=
|parent=
}}
}}

Latest revision as of 11:44, 21 November 2025

‎

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation n/a
Trivialname n/a
Exact mass n/a
Molecular formula n/a
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

100987


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Molecule is used on following pages

publication
investigation

Molecule roles

Investigation type Photosensitizer
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
Ultraviolett Visuell experiments
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