iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide

C30H24IrN3- — CID 59171953

IUPACiridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
SMILESCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.[Ir]
InChIInChI=1S/C30H24N3.Ir/c1-20-17-21(2)29(22(3)18-20)32-16-15-31-30(32)23-13-14-28-26(19-23)25-11-7-8-12-27(25)33(28)24-9-5-4-6-10-24;/h4-12,14-19H,1-3H3;/q-1;
InChIKeyMNOUBDAHGHRTDX-UHFFFAOYSA-N
MW618.76 g/mol
LogP7.36
Rot. Bonds3

About iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide

iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide (PubChem CID 59171953) has the molecular formula C30H24IrN3- and a molecular weight of 618.76 g/mol. Its IUPAC name is iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide.

Molecular Properties

Compound Nameiridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
PubChem CID59171953
Molecular FormulaC30H24IrN3-
Molecular Weight618.76 g/mol
Exact Mass619.16
IUPAC Nameiridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
SMILESCc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.[Ir]
InChIInChI=1S/C30H24N3.Ir/c1-20-17-21(2)29(22(3)18-20)32-16-15-31-30(32)23-13-14-28-26(19-23)25-11-7-8-12-27(25)33(28)24-9-5-4-6-10-24;/h4-12,14-19H,1-3H3;/q-1;
InChIKeyMNOUBDAHGHRTDX-UHFFFAOYSA-N
XLogP7.36
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.76
LogP ≤ 57.36
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

iridium(3+);tris(5-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-7H-pyrido[3,2-b]indol-7-ide)
CID 59348225
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);3-(3-methyl-2H-imidazol-2-id-1-yl)-9-phenyl-2H-carbazol-2-ide
CID 140810179
2-[3,5-di(carbazol-9-yl)phenyl]-4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexane-2,4-diol;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
CID 58947547
bis([2-(4-carbazol-9-ylphenyl)-4-methylphenyl]-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane);[2-(4-carbazol-9-ylphenyl)-4-methylphenyl]methyl-[3,5-dimethyl-4-[3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-4-id-1-yl]phenyl]-diphenylsilane;iridium(3+)
CID 58947213
2-(4-butan-2-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;9-[8-[3-butan-2-yl-5-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
CID 159593461
9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)-5-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]phenyl]dibenzofuran-2-yl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
CID 58099636
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
CID 58750753
9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910
3-(6-tert-butylpyrimidin-4-yl)-9-phenyl-2H-carbazol-2-ide;iridium
CID 140929835

Frequently Asked Questions

What is the IUPAC name of iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide?
The IUPAC name of iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide (CID 59171953) is iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide.
What is the SMILES notation for iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide?
The canonical SMILES for iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide is Cc1cc(C)c(-n2ccnc2-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)c(C)c1.[Ir].
What is the InChIKey of iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide?
The InChIKey is MNOUBDAHGHRTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N3.Ir/c1-20-17-21(2)29(22(3)18-20)32-16-15-31-30(32)23-13-14-28-26(19-23)25-11-7-8-12-27(25)33(28)24-9-5-4-6-10-24;/h4-12,14-19H,1-3H3;/q-1;.
What are the key properties of iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide?
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide has a molecular weight of 618.76 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide is sourced from PubChem (CID 59171953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).