Molecule:100921: Difference between revisions

InChI	InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChI-Key	ZHICCZCBAVTOOO-DAJBKUBHSA-N
SMILES	C1=C/C2=C(\c3ccccc3)c3ccc(n3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c(n3)=C(\c3ccccc3)C1=N2.[Co]

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	387.931932284
Molecular formula	C12H12Cl2N2O2Ru
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Latest revision as of 20:22, 26 April 2024

‎

100921

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Click here to show SMILES and InChI.

Belongs to molecule collection: Molecule collection 100481 ‎

Molecule roles

Investigation type
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments

@@ Line 6: / Line 6: @@
 |synonyms=
 |hasVendors=
-|moleculeKey=YFORDIYYTTWPQT-UHFFFAOYSA-L
+|moleculeKey=ZHICCZCBAVTOOO-DAJBKUBHSA-N
 |molOrRxn=
       RDKit          2D
@@ Line 12: / Line 12: @@
   0  0  0  0  0  0  0  0  0999 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 19 21 0 0 0
+M  V30 COUNTS 49 58 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 3.05985 -4.92507 0 0
+M  V30 1 N 4.66606 -5.41111 0 0
-M  V30 2 C 4.79015 -4.92459 0 0
+M  V30 2 C 3.13699 -5.95463 0 0
-M  V30 3 C 3.92664 -4.42497 0 0
+M  V30 3 C 4.03371 -6.23064 0 0
-M  V30 4 N 4.79015 -5.92553 0 0
+M  V30 4 C 3.12254 -4.98038 0 0
-M  V30 5 C 3.05985 -5.93002 0 0
+M  V30 5 C 4.06045 -4.64109 0 0
-M  V30 6 C 3.92882 -6.42503 0 0
+M  V30 6 N 5.95299 -3.81034 0 0
-M  V30 7 C 6.75985 -2.90007 0 0
+M  V30 7 C 5.41638 -2.36171 0 0
-M  V30 8 C 8.49015 -2.89959 0 0
+M  V30 8 C 5.1929 -3.29986 0 0
-M  V30 9 C 7.62664 -2.39997 0 0
+M  V30 9 C 6.35765 -2.319 0 0
-M  V30 10 C 8.49015 -3.90053 0 0
+M  V30 10 C 6.65796 -3.219 0 0
-M  V30 11 C 6.75985 -3.90502 0 0
+M  V30 11 N 5.96236 -6.91006 0 0
-M  V30 12 N 7.62882 -4.40003 0 0
+M  V30 12 C 6.52557 -8.34866 0 0
-M  V30 13 Ru 6.85 -6.2 0 0
+M  V30 13 C 6.72774 -7.40045 0 0
-M  V30 14 Cl 9.15 -5.55 0 0
+M  V30 14 C 5.57823 -8.414 0 0
-M  V30 15 Cl 5.675 -7.425 0 0
+M  V30 15 C 5.25713 -7.49888 0 0
-M  V30 16 C 7.10882 -7.16593 0 0
+M  V30 16 N 7.17976 -5.2673 0 0
-M  V30 17 C 7.71603 -6.7 0 0
+M  V30 17 C 8.73769 -4.71702 0 0
-M  V30 18 O 7.62671 -8.02303 0 0
+M  V30 18 C 7.78706 -4.41879 0 0
-M  V30 19 O 8.74102 -6.675 0 0
+M  V30 19 C 8.76154 -5.67576 0 0
+M  V30 20 C 7.85817 -6.01087 0 0
+M  V30 21 C 4.27637 -3.66264 0 0
+M  V30 22 C 4.31861 -7.2329 0 0
+M  V30 23 C 7.64891 -7.02167 0 0
+M  V30 24 C 7.54636 -3.49084 0 0
+M  V30 25 C 8.29561 -2.73193 0 0
+M  V30 26 C 3.52881 -2.97276 0 0
+M  V30 27 C 3.62675 -7.94422 0 0
+M  V30 28 C 8.4275 -7.69954 0 0
+M  V30 29 C 10.1276 -8.05745 0 0
+M  V30 30 C 9.38492 -7.38899 0 0
+M  V30 31 C 9.91982 -9.04359 0 0
+M  V30 32 C 8.21719 -8.68168 0 0
+M  V30 33 C 8.96753 -9.35638 0 0
+M  V30 34 C 3.21539 -9.61054 0 0
+M  V30 35 C 3.90095 -8.89533 0 0
+M  V30 36 C 2.24988 -9.37049 0 0
+M  V30 37 C 2.66496 -7.70461 0 0
+M  V30 38 C 1.97456 -8.41606 0 0
+M  V30 39 C 1.85568 -2.52951 0 0
+M  V30 40 C 2.56694 -3.23637 0 0
+M  V30 41 C 2.11214 -1.56494 0 0
+M  V30 42 C 3.78342 -2.00311 0 0
+M  V30 43 C 3.07749 -1.30299 0 0
+M  V30 44 C 8.75865 -1.03396 0 0
+M  V30 45 C 8.03592 -1.74666 0 0
+M  V30 46 C 9.73753 -1.29952 0 0
+M  V30 47 C 9.28082 -2.99716 0 0
+M  V30 48 C 9.99807 -2.278 0 0
+M  V30 49 Co 5.90562 -5.63752 0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 3 1
+M  V30 1 4 1 5
-M  V30 2 2 4 2
+M  V30 2 4 2 3
-M  V30 3 1 1 5
+M  V30 3 4 3 1
-M  V30 4 1 2 3
+M  V30 4 4 4 2
-M  V30 5 2 5 6
+M  V30 5 4 5 4
-M  V30 6 1 6 4
+M  V30 6 1 6 10
-M  V30 7 2 9 7
+M  V30 7 1 7 8
-M  V30 8 2 10 8
+M  V30 8 2 8 6
-M  V30 9 1 7 11
+M  V30 9 2 9 7
-M  V30 10 1 8 9
+M  V30 10 1 10 9
-M  V30 11 2 11 12
+M  V30 11 2 11 15
-M  V30 12 1 12 10
+M  V30 12 1 12 13
-M  V30 13 1 2 11
+M  V30 13 1 13 11
-M  V30 14 8 13 4
+M  V30 14 2 14 12
-M  V30 15 8 13 12
+M  V30 15 1 15 14
-M  V30 16 8 13 15
+M  V30 16 4 16 20
-M  V30 17 8 13 14
+M  V30 17 4 17 18
-M  V30 18 8 13 16
+M  V30 18 4 18 16
-M  V30 19 8 13 17
+M  V30 19 4 19 17
-M  V30 20 3 16 18
+M  V30 20 4 20 19
-M  V30 21 3 17 19
+M  V30 21 1 8 21
+M  V30 22 2 21 5
+M  V30 23 2 3 22
+M  V30 24 1 22 15
+M  V30 25 2 13 23
+M  V30 26 1 23 20
+M  V30 27 1 18 24
+M  V30 28 2 24 10
+M  V30 29 1 24 25
+M  V30 30 1 21 26
+M  V30 31 1 22 27
+M  V30 32 1 23 28
+M  V30 33 4 30 28
+M  V30 34 4 31 29
+M  V30 35 4 28 32
+M  V30 36 4 29 30
+M  V30 37 4 32 33
+M  V30 38 4 33 31
+M  V30 39 4 35 27
+M  V30 40 4 36 34
+M  V30 41 4 27 37
+M  V30 42 4 34 35
+M  V30 43 4 37 38
+M  V30 44 4 38 36
+M  V30 45 4 40 26
+M  V30 46 4 41 39
+M  V30 47 4 26 42
+M  V30 48 4 39 40
+M  V30 49 4 42 43
+M  V30 50 4 43 41
+M  V30 51 4 45 25
+M  V30 52 4 46 44
+M  V30 53 4 25 47
+M  V30 54 4 44 45
+M  V30 55 4 47 48
+M  V30 56 4 48 46
+M  V30 57 10 1 49
+M  V30 58 10 49 16
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=O#C~[Ru]1(~Cl)(~Cl)(~C#O)~N2=C(C=CC=C2)C2=N~1C=CC=C2
+|smiles=C1=C/C2=C(\c3ccccc3)c3ccc(n3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3ccccc3)=c3/cc/c(n3)=C(\c3ccccc3)C1=N2.[Co]
-|inchi=InChI=1S/C10H8N2.2CO.2ClH.Ru/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2;;;/h1-8H;;;2*1H;/q;;;;;+2/p-2
+|inchi=InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
-|inchikey=YFORDIYYTTWPQT-UHFFFAOYSA-L
+|inchikey=ZHICCZCBAVTOOO-DAJBKUBHSA-N
 |width=200
 |height=200

Molecule:100921: Difference between revisions

Latest revision as of 20:22, 26 April 2024

Molecule roles

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