butan-2-ol;iridium;2-phenylquinoline

C19H19IrNO-2 — CID 155610243

IUPACbutan-2-ol;iridium;2-phenylquinoline
SMILES[CH2-]CC(C)O.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.C4H9O.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-3-4(2)5;/h1-6,8-11H;4-5H,1,3H2,2H3;/q2*-1;
InChIKeySDGGYGCESNDQMP-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.29
Rot. Bonds2

About butan-2-ol;iridium;2-phenylquinoline

butan-2-ol;iridium;2-phenylquinoline (PubChem CID 155610243) has the molecular formula C19H19IrNO-2 and a molecular weight of 469.58 g/mol. Its IUPAC name is butan-2-ol;iridium;2-phenylquinoline.

Molecular Properties

Compound Namebutan-2-ol;iridium;2-phenylquinoline
PubChem CID155610243
Molecular FormulaC19H19IrNO-2
Molecular Weight469.58 g/mol
Exact Mass470.11
IUPAC Namebutan-2-ol;iridium;2-phenylquinoline
SMILES[CH2-]CC(C)O.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H10N.C4H9O.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-3-4(2)5;/h1-6,8-11H;4-5H,1,3H2,2H3;/q2*-1;
InChIKeySDGGYGCESNDQMP-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
carbanide;2-phenylquinoline;platinum
CID 21044184
iridium;pent-2-ene-2,4-diol;2-phenylquinoline
CID 146899847
(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium;2-phenylquinoline
CID 155627723
1-cyclohexyl-3-phenyl-2H-imidazol-2-ide;iridium(3+);pentane-2,4-diol;2-phenylquinoline
CID 164783134
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
8-hydroxy-3,4,4a,5,6,7-hexahydro-2H-naphthalen-1-one;iridium;2-phenylquinoline
CID 170528108
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
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487
iridium;2-phenylquinoline;1-phenyl-5-(2,4,6-trimethylphenyl)pyrazole
CID 157261228
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
iridium;4-methyl-6-phenylpyrimidine;pentane-2,4-diol
CID 140590079

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;iridium;2-phenylquinoline?
The IUPAC name of butan-2-ol;iridium;2-phenylquinoline (CID 155610243) is butan-2-ol;iridium;2-phenylquinoline.
What is the SMILES notation for butan-2-ol;iridium;2-phenylquinoline?
The canonical SMILES for butan-2-ol;iridium;2-phenylquinoline is [CH2-]CC(C)O.[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of butan-2-ol;iridium;2-phenylquinoline?
The InChIKey is SDGGYGCESNDQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C4H9O.Ir/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-3-4(2)5;/h1-6,8-11H;4-5H,1,3H2,2H3;/q2*-1;.
What are the key properties of butan-2-ol;iridium;2-phenylquinoline?
butan-2-ol;iridium;2-phenylquinoline has a molecular weight of 469.58 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;iridium;2-phenylquinoline is sourced from PubChem (CID 155610243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).