[2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)

C60H46IrN2OPSi- — CID 146713666

IUPAC[2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)
SMILESO[Si](c1ccccc1)(c1ccccc1)c1ccccc1[PH+](c1ccccc1)c1ccccc1.[Ir].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C30H25OPSi.2C15H10N.Ir/c31-33(27-19-9-3-10-20-27,28-21-11-4-12-22-28)30-24-14-13-23-29(30)32(25-15-5-1-6-16-25)26-17-7-2-8-18-26;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-24,31H;2*1-7,9-11H;/q;2*-1;/p+1
InChIKeyWGQMHMFRXDTYJE-UHFFFAOYSA-O
MW1062.32 g/mol
LogP10.54
Rot. Bonds8

About [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)

[2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline) (PubChem CID 146713666) has the molecular formula C60H46IrN2OPSi- and a molecular weight of 1062.32 g/mol. Its IUPAC name is [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline).

Molecular Properties

Compound Name[2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)
PubChem CID146713666
Molecular FormulaC60H46IrN2OPSi-
Molecular Weight1062.32 g/mol
Exact Mass1062.28
IUPAC Name[2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)
SMILESO[Si](c1ccccc1)(c1ccccc1)c1ccccc1[PH+](c1ccccc1)c1ccccc1.[Ir].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C30H25OPSi.2C15H10N.Ir/c31-33(27-19-9-3-10-20-27,28-21-11-4-12-22-28)30-24-14-13-23-29(30)32(25-15-5-1-6-16-25)26-17-7-2-8-18-26;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-24,31H;2*1-7,9-11H;/q;2*-1;/p+1
InChIKeyWGQMHMFRXDTYJE-UHFFFAOYSA-O
XLogP10.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.32
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-hydroxy-3-prop-1-en-2-ylpent-3-en-2-one;iridium;bis(1-phenylisoquinoline)
CID 59815313
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
iridium(3+);1-methanidyl-2-phenylpyridin-1-ium;1-phenylisoquinoline
CID 155624636
1-[1-adamantyl(phenyl)phosphoryl]adamantane;iridium;1-phenylisoquinoline
CID 164702262
1-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;1-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]isoquinoline;tris(iridium);tris(1-phenylisoquinoline)
CID 159344194
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
bis(3,4-dimethyl-2-phenylpyridin-1-ium);iridium;1-phenylisoquinoline
CID 160540235
(Z)-1-[4-(4-ethenylphenyl)phenyl]-3-hydroxybut-2-en-1-one;iridium;1-phenylisoquinoline
CID 162506224
CID 59865379
CID 59865379
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766
6,10-dihydroisochromeno[4,3-b]pyridin-10-ide;iridium;1-phenylisoquinoline
CID 153446953
CID 158059987
CID 158059987

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)?
The IUPAC name of [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline) (CID 146713666) is [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline).
What is the SMILES notation for [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)?
The canonical SMILES for [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline) is O[Si](c1ccccc1)(c1ccccc1)c1ccccc1[PH+](c1ccccc1)c1ccccc1.[Ir].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)?
The InChIKey is WGQMHMFRXDTYJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H25OPSi.2C15H10N.Ir/c31-33(27-19-9-3-10-20-27,28-21-11-4-12-22-28)30-24-14-13-23-29(30)32(25-15-5-1-6-16-25)26-17-7-2-8-18-26;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h1-24,31H;2*1-7,9-11H;/q;2*-1;/p+1.
What are the key properties of [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline)?
[2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline) has a molecular weight of 1062.32 g/mol, XLogP of 10.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(diphenyl)silyl]phenyl]-diphenylphosphanium;iridium;bis(1-phenylisoquinoline) is sourced from PubChem (CID 146713666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).