Molecule:100843: Difference between revisions

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molecule
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(auto-generated)
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|moleculeKey=NSABRUJKERBGOU-UHFFFAOYSA-N
|moleculeKey=NSABRUJKERBGOU-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
  -INDIGO-01102415372D
|smiles=
 
|inchi=
  0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 37 45 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 8.00985 -2.17507 0.0 0
M  V30 2 C 9.74015 -2.17459 0.0 0
M  V30 3 C 8.87664 -1.67497 0.0 0
M  V30 4 C 9.74015 -3.17553 0.0 0
M  V30 5 C 8.00985 -3.18002 0.0 0
M  V30 6 N 8.87882 -3.67503 0.0 0
M  V30 7 C 10.6062 -3.67553 0.0 0
M  V30 8 C 12.3365 -3.67389 0.0 0
M  V30 9 C 11.4726 -3.17484 0.0 0
M  V30 10 C 12.3371 -4.67483 0.0 0
M  V30 11 C 10.6068 -4.68048 0.0 0 CHG=-1
M  V30 12 C 11.4762 -5.17491 0.0 0
M  V30 13 C 8.05985 -8.20007 0.0 0
M  V30 14 C 9.79015 -8.19959 0.0 0
M  V30 15 C 8.92664 -7.69997 0.0 0 CHG=-1
M  V30 16 C 9.79015 -9.20053 0.0 0
M  V30 17 C 8.05985 -9.20502 0.0 0
M  V30 18 C 8.92882 -9.70003 0.0 0
M  V30 19 C 10.6562 -7.69959 0.0 0
M  V30 20 C 11.5199 -6.20028 0.0 0
M  V30 21 N 10.6558 -6.69887 0.0 0
M  V30 22 C 12.3871 -6.70017 0.0 0
M  V30 23 C 11.5268 -8.20148 0.0 0
M  V30 24 C 12.3897 -7.69585 0.0 0
M  V30 25 C 5.35985 -6.85007 0.0 0
M  V30 26 N 7.09015 -6.84959 0.0 0
M  V30 27 C 6.22664 -6.34997 0.0 0
M  V30 28 C 7.09015 -7.85053 0.0 0
M  V30 29 C 5.35985 -7.85502 0.0 0
M  V30 30 C 6.22882 -8.35003 0.0 0
M  V30 31 C 6.22664 -5.34997 0.0 0
M  V30 32 C 5.36006 -3.8523 0.0 0
M  V30 33 C 5.3598 -4.84994 0.0 0
M  V30 34 C 6.22657 -3.35125 0.0 0
M  V30 35 C 7.09661 -4.84691 0.0 0 CHG=-1
M  V30 36 C 7.09015 -3.84686 0.0 0
M  V30 37 Ir 8.91263 -5.69691 0.0 0 CHG=3
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 2 4 2
M  V30 3 1 1 5
M  V30 4 1 2 3
M  V30 5 2 5 6
M  V30 6 1 6 4
M  V30 7 1 4 7
M  V30 8 2 9 7
M  V30 9 2 10 8
M  V30 10 1 7 11
M  V30 11 1 8 9
M  V30 12 2 11 12
M  V30 13 1 12 10
M  V30 14 2 15 13
M  V30 15 2 16 14
M  V30 16 1 13 17
M  V30 17 1 14 15
M  V30 18 2 17 18
M  V30 19 1 18 16
M  V30 20 1 14 19
M  V30 21 2 21 19
M  V30 22 2 22 20
M  V30 23 1 19 23
M  V30 24 1 20 21
M  V30 25 2 23 24
M  V30 26 1 24 22
M  V30 27 2 27 25
M  V30 28 2 28 26
M  V30 29 1 25 29
M  V30 30 1 26 27
M  V30 31 2 29 30
M  V30 32 1 30 28
M  V30 33 1 27 31
M  V30 34 2 33 31
M  V30 35 2 34 32
M  V30 36 1 31 35
M  V30 37 1 32 33
M  V30 38 2 35 36
M  V30 39 1 36 34
M  V30 40 10 35 37
M  V30 41 10 37 6
M  V30 42 10 11 37
M  V30 43 10 37 21
M  V30 44 10 15 37
M  V30 45 10 37 26
M  V30 END BOND
M  V30 END CTAB
M  END
|smiles=C1C=N2[Ir+3]3(N4C(C5[C-]3=CC=CC=5)=CC=CC=4)3([C-]4C(C5C=CC=CN=53)=CC=CC=4)[C-]3=CC=CC=C3C2=CC=1
|inchi=1S/3C11H8N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-6,8-9H;/q3*-1;+3
|inchikey=NSABRUJKERBGOU-UHFFFAOYSA-N
|inchikey=NSABRUJKERBGOU-UHFFFAOYSA-N
|width=200
|width=300px
|height=200
|height=200px
|float=none
|float=none
|logP=
|logP=
|parent=
|parent=
}}
}}

Revision as of 09:39, 14 February 2024

Properties
CID 11388194
CAS 94928-86-6
IUPAC-Name iridium(3+);2-phenylpyridine
Abbreviation Ir(ppy)3
Trivialname tris2-phenylpyridinato-c2niridium(iii)
Exact mass 655.15995
Molecular formula C33H24IrN3
LogP n/a
Has vendors true
Molecular role n/a
Synonyms tris2-phenylpyridinato-c2niridium(iii),ir(ppy)3,tris(2-phenylpyridinato)iridium(iii),tris(2-phenylpyridinato)iridium(iii) (purified by sublimation),tris(2-(pyridin-2-yl)phenyl)iridium,tris2-(pyridin-2-yl)phenyliridium,mfcd12022527,fac-tris(2-phenylpyridine)iridium(iii),schembl294298,bcp07959

Ir(ppy)3


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