iridium;pent-2-ene-2,4-diol;2-phenylquinoline

C20H20IrNO2- — CID 146899847

IUPACiridium;pent-2-ene-2,4-diol;2-phenylquinoline
SMILESCC(O)=CC(C)O.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.C5H10O2.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-4(6)3-5(2)7;/h1-6,8-11H;3-4,6-7H,1-2H3;/q-1;;
InChIKeyYBQNRSDZVYHNHF-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.53
Rot. Bonds2

About iridium;pent-2-ene-2,4-diol;2-phenylquinoline

iridium;pent-2-ene-2,4-diol;2-phenylquinoline (PubChem CID 146899847) has the molecular formula C20H20IrNO2- and a molecular weight of 498.60 g/mol. Its IUPAC name is iridium;pent-2-ene-2,4-diol;2-phenylquinoline.

Molecular Properties

Compound Nameiridium;pent-2-ene-2,4-diol;2-phenylquinoline
PubChem CID146899847
Molecular FormulaC20H20IrNO2-
Molecular Weight498.60 g/mol
Exact Mass499.11
IUPAC Nameiridium;pent-2-ene-2,4-diol;2-phenylquinoline
SMILESCC(O)=CC(C)O.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.C5H10O2.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-4(6)3-5(2)7;/h1-6,8-11H;3-4,6-7H,1-2H3;/q-1;;
InChIKeyYBQNRSDZVYHNHF-UHFFFAOYSA-N
XLogP4.53
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

butan-2-ol;iridium;2-phenylquinoline
CID 155610243
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
carbanide;2-phenylquinoline;platinum
CID 21044184
(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium;2-phenylquinoline
CID 155627723
2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;tris(iridium);3-methyl-2-phenylpyridine;bis(pent-2-ene-2,4-diol)
CID 162285824
iridium;pent-2-ene-2,4-diol;bis(2-phenyl-4,5-dihydro-1,3-oxazole)
CID 146899918
iridium;pent-2-ene-2,4-diol;9-(6-phenylpyrimidin-4-yl)carbazole
CID 162299149
[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-7-yl]-triethylgermane;bis([2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylgermane);2,6-dimethylhept-3-ene-3,5-diol;tetrakis(iridium);tris(pent-2-ene-2,4-diol);triethyl-(2-phenylquinolin-7-yl)germane
CID 162285858
benzene;bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);tetrakis(iridium);isoquinoline;tetrakis(pent-2-ene-2,4-diol);bis(5H-phenanthro[9,10-b]pyrazin-5-ide);1-phenylisoquinoline;bis(2-phenylquinoline)
CID 162299128
benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))
CID 23528042
4-(2,6-dimethylphenyl)-3-(2-methylphenyl)-5-phenyl-1,2,4-triazole;4-(2,6-dimethylphenyl)-3-(2-methylphenyl)-5-phenyl-1,2,4-triazole;bis(iridium);pent-2-ene-2,4-diol
CID 162287288
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295

Frequently Asked Questions

What is the IUPAC name of iridium;pent-2-ene-2,4-diol;2-phenylquinoline?
The IUPAC name of iridium;pent-2-ene-2,4-diol;2-phenylquinoline (CID 146899847) is iridium;pent-2-ene-2,4-diol;2-phenylquinoline.
What is the SMILES notation for iridium;pent-2-ene-2,4-diol;2-phenylquinoline?
The canonical SMILES for iridium;pent-2-ene-2,4-diol;2-phenylquinoline is CC(O)=CC(C)O.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of iridium;pent-2-ene-2,4-diol;2-phenylquinoline?
The InChIKey is YBQNRSDZVYHNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C5H10O2.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-4(6)3-5(2)7;/h1-6,8-11H;3-4,6-7H,1-2H3;/q-1;;.
What are the key properties of iridium;pent-2-ene-2,4-diol;2-phenylquinoline?
iridium;pent-2-ene-2,4-diol;2-phenylquinoline has a molecular weight of 498.60 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pent-2-ene-2,4-diol;2-phenylquinoline is sourced from PubChem (CID 146899847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).