iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile

C20H18IrN3- — CID 155646358

IUPACiridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
SMILESCc1cc(C)c(-n2c(-c3[c-]cccc3)nc(C#N)c2C)c(C)c1.[Ir]
InChIInChI=1S/C20H18N3.Ir/c1-13-10-14(2)19(15(3)11-13)23-16(4)18(12-21)22-20(23)17-8-6-5-7-9-17;/h5-8,10-11H,1-4H3;/q-1;
InChIKeyMRWAIEVIBAOKCU-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.44
Rot. Bonds2

About iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile

iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile (PubChem CID 155646358) has the molecular formula C20H18IrN3- and a molecular weight of 492.60 g/mol. Its IUPAC name is iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Nameiridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
PubChem CID155646358
Molecular FormulaC20H18IrN3-
Molecular Weight492.60 g/mol
Exact Mass493.11
IUPAC Nameiridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
SMILESCc1cc(C)c(-n2c(-c3[c-]cccc3)nc(C#N)c2C)c(C)c1.[Ir]
InChIInChI=1S/C20H18N3.Ir/c1-13-10-14(2)19(15(3)11-13)23-16(4)18(12-21)22-20(23)17-8-6-5-7-9-17;/h5-8,10-11H,1-4H3;/q-1;
InChIKeyMRWAIEVIBAOKCU-UHFFFAOYSA-N
XLogP4.44
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-phenyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazole;iridium
CID 155646291
1-(2,6-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)benzimidazole;iridium
CID 59546951
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
7-(2,6-dimethylphenyl)-1,11-dimethyl-6-phenyl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene;iridium
CID 140756565
7-(2,6-dimethylphenyl)-6-phenyl-5,7-diazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;iridium
CID 140756461
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
iridium;phenylbenzene
CID 58599975
4-bromo-1-(2,6-dimethylphenyl)-5-iodo-2-(4-methoxybenzene-6-id-1-yl)imidazole;4-bromo-1-(2,6-dimethylphenyl)-2-phenylimidazole;4-bromo-1-(2-methylphenyl)-2-phenylimidazole;4-iodo-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;tetrakis(iridium)
CID 161064043
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
3-fluoro-6-(2,4,6-trimethylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 140604474
1-(2,6-dimethylphenyl)-7-[2,6-di(propan-2-yl)phenyl]-2-methyl-6-phenylimidazo[4,5-c]azaborinine;iridium
CID 166043743
iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 140582460

Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?
The IUPAC name of iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile (CID 155646358) is iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile.
What is the SMILES notation for iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?
The canonical SMILES for iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile is Cc1cc(C)c(-n2c(-c3[c-]cccc3)nc(C#N)c2C)c(C)c1.[Ir].
What is the InChIKey of iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?
The InChIKey is MRWAIEVIBAOKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N3.Ir/c1-13-10-14(2)19(15(3)11-13)23-16(4)18(12-21)22-20(23)17-8-6-5-7-9-17;/h5-8,10-11H,1-4H3;/q-1;.
What are the key properties of iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile?
iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile has a molecular weight of 492.60 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 155646358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).