iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)

C31H34IrN2O2-2 — CID 59748579

IUPACiridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)
SMILESC=CCCCC(O)CC(C)O.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.C9H18O2.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-4-5-6-9(11)7-8(2)10;/h2*1-6,8-9H;3,8-11H,1,4-7H2,2H3;/q2*-1;;
InChIKeyVYLDLCOLMZTMOS-UHFFFAOYSA-N
MW658.84 g/mol
LogP6.57
Rot. Bonds8

About iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)

iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine) (PubChem CID 59748579) has the molecular formula C31H34IrN2O2-2 and a molecular weight of 658.84 g/mol. Its IUPAC name is iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine).

Molecular Properties

Compound Nameiridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)
PubChem CID59748579
Molecular FormulaC31H34IrN2O2-2
Molecular Weight658.84 g/mol
Exact Mass659.23
IUPAC Nameiridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)
SMILESC=CCCCC(O)CC(C)O.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C11H8N.C9H18O2.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-4-5-6-9(11)7-8(2)10;/h2*1-6,8-9H;3,8-11H,1,4-7H2,2H3;/q2*-1;;
InChIKeyVYLDLCOLMZTMOS-UHFFFAOYSA-N
XLogP6.57
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-(9-hexyl-2,7-dimethylfluoren-9-yl)tetradecane-2,4-diol;iridium;2-phenylpyridine
CID 58713545
iridium;tris(2-phenylpyridine)
CID 23386734
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
iridium;pentane-2,4-diol;bis(4-phenyl-2-phenylpyridine)
CID 153309687
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
bis(iridium(3+));tris(non-8-ene-2,4-diolate);tetrakis(2-phenylpyridine)
CID 173242652
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)
CID 159338664
iridium;pentane-2,4-diol;(4-pyridin-2-ylbenzene-5-id-1-yl) 2-methylpropanoate;(4-pyridin-2-ylbenzene-5-id-1-yl) 2-methylprop-2-enoate
CID 59386520

Frequently Asked Questions

What is the IUPAC name of iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)?
The IUPAC name of iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine) (CID 59748579) is iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine).
What is the SMILES notation for iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)?
The canonical SMILES for iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine) is C=CCCCC(O)CC(C)O.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)?
The InChIKey is VYLDLCOLMZTMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N.C9H18O2.Ir/c2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-4-5-6-9(11)7-8(2)10;/h2*1-6,8-9H;3,8-11H,1,4-7H2,2H3;/q2*-1;;.
What are the key properties of iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)?
iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine) has a molecular weight of 658.84 g/mol, XLogP of 6.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine) is sourced from PubChem (CID 59748579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).