(2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)

C41H34IrN2OP- — CID 59800392

IUPAC(2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)
SMILESCc1cccc([PH+](c2ccccc2)c2ccccc2)c1O.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H17OP.2C11H8N.Ir/c1-15-9-8-14-18(19(15)20)21(16-10-4-2-5-11-16)17-12-6-3-7-13-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-14,20H,1H3;2*1-6,8-9H;/q;2*-1;/p+1
InChIKeyQYGRZDKXSPZURS-UHFFFAOYSA-O
MW793.93 g/mol
LogP8.29
Rot. Bonds5

About (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)

(2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine) (PubChem CID 59800392) has the molecular formula C41H34IrN2OP- and a molecular weight of 793.93 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine).

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)
PubChem CID59800392
Molecular FormulaC41H34IrN2OP-
Molecular Weight793.93 g/mol
Exact Mass794.20
IUPAC Name(2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)
SMILESCc1cccc([PH+](c2ccccc2)c2ccccc2)c1O.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C19H17OP.2C11H8N.Ir/c1-15-9-8-14-18(19(15)20)21(16-10-4-2-5-11-16)17-12-6-3-7-13-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-14,20H,1H3;2*1-6,8-9H;/q;2*-1;/p+1
InChIKeyQYGRZDKXSPZURS-UHFFFAOYSA-O
XLogP8.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Fluoroform;tris(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
CID 159258322
Bis{2'-[1-(2-hydroxyphenyl)ethylidene]benzohydrazido}bis(pyridine-kappaN)zinc(II)
CID 139066729
Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato]copper(II)
CID 139069835
Bis{N-(2-hydroxybenzoyl)-N'-[1-(2-pyridyl)ethylidene]hydrazinato}nickel(II)
CID 139070223
(12) Ti(OPy)2(DMP)2
CID 139128840
bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate);iron(2+)
CID 139161499
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;diisothiocyanate
CID 139176793
dicopper;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;diisocyanate
CID 139176794
zinc bis((NE,1Z)-2-hydroxy-N-(1-pyridin-2-ylethylidene)benzenecarbohydrazonate)
CID 139194938
dizinc;bis(2,6-di(propan-2-yl)phenolate);[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-(pyridin-2-ylmethyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(Z)-4-(pyridin-2-ylmethylimino)pent-2-en-2-yl]azanide
CID 168305778
Bis{mu-2-[1-(2-Pyridylmethylimino)ethyl]phenolato}bis[azidocopper(II)]
CID 168309718
2-Phenylphenol;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 57539638

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)?
The IUPAC name of (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine) (CID 59800392) is (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine).
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine) is Cc1cccc([PH+](c2ccccc2)c2ccccc2)c1O.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)?
The InChIKey is QYGRZDKXSPZURS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17OP.2C11H8N.Ir/c1-15-9-8-14-18(19(15)20)21(16-10-4-2-5-11-16)17-12-6-3-7-13-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-14,20H,1H3;2*1-6,8-9H;/q;2*-1;/p+1.
What are the key properties of (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine)?
(2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine) has a molecular weight of 793.93 g/mol, XLogP of 8.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylphenyl)-diphenylphosphanium;iridium;bis(2-phenylpyridine) is sourced from PubChem (CID 59800392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).