2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine

C26H31IrN2O- — CID 135967420

IUPAC2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine
SMILESCCCCCC/N=C/c1cc(C)cc(C)c1O.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C15H23NO.C11H8N.Ir/c1-4-5-6-7-8-16-11-14-10-12(2)9-13(3)15(14)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-11,17H,4-8H2,1-3H3;1-6,8-9H;/q;-1;/b16-11+;;
InChIKeyFVUZRWAKWAUHPU-RPVSWQTKSA-N
MW579.76 g/mol
LogP6.55
Rot. Bonds7

About 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine

2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine (PubChem CID 135967420) has the molecular formula C26H31IrN2O- and a molecular weight of 579.76 g/mol. Its IUPAC name is 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine
PubChem CID135967420
Molecular FormulaC26H31IrN2O-
Molecular Weight579.76 g/mol
Exact Mass580.21
IUPAC Name2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine
SMILESCCCCCC/N=C/c1cc(C)cc(C)c1O.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C15H23NO.C11H8N.Ir/c1-4-5-6-7-8-16-11-14-10-12(2)9-13(3)15(14)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-11,17H,4-8H2,1-3H3;1-6,8-9H;/q;-1;/b16-11+;;
InChIKeyFVUZRWAKWAUHPU-RPVSWQTKSA-N
XLogP6.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.76
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;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

iridium;tris(2-phenylpyridine)
CID 23386734
3,5-dimethyl-4-(pyrrol-1-id-2-ylmethylideneamino)phenol;iridium;bis(2-phenylpyridine)
CID 140549181
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
CID 172511088
chlorozinc(1+);2-phenylpyridine
CID 59773311
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
14-(9-hexyl-2,7-dimethylfluoren-9-yl)tetradecane-2,4-diol;iridium;2-phenylpyridine
CID 58713545
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;3-(3-methylbenzene-6-id-1-yl)isoquinoline;2-phenylpyridine
CID 155620539
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072

Frequently Asked Questions

What is the IUPAC name of 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine?
The IUPAC name of 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine (CID 135967420) is 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine?
The canonical SMILES for 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine is CCCCCC/N=C/c1cc(C)cc(C)c1O.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine?
The InChIKey is FVUZRWAKWAUHPU-RPVSWQTKSA-N. The full InChI is InChI=1S/C15H23NO.C11H8N.Ir/c1-4-5-6-7-8-16-11-14-10-12(2)9-13(3)15(14)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-11,17H,4-8H2,1-3H3;1-6,8-9H;/q;-1;/b16-11+;;.
What are the key properties of 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine?
2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine has a molecular weight of 579.76 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexyliminomethyl)-4,6-dimethylphenol;iridium;2-phenylpyridine is sourced from PubChem (CID 135967420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).