carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium

C34H34IrN4O2-2 — CID 165148086

IUPACcarbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium
SMILESC[NH+]1C=CN(c2cccc3c2oc2ccccc23)[CH-]1.C[NH+]1C=CN(c2cccc3c2oc2ccccc23)[CH-]1.[CH3-].[CH3-].[Ir]
InChIInChI=1S/2C16H14N2O.2CH3.Ir/c2*1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;;;/h2*2-11,17H,1H3;2*1H3;/q;;2*-1;
InChIKeyRGPACJAYMXTMSQ-UHFFFAOYSA-N
MW722.89 g/mol
LogP5.92
Rot. Bonds2

About carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium

carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium (PubChem CID 165148086) has the molecular formula C34H34IrN4O2-2 and a molecular weight of 722.89 g/mol. Its IUPAC name is carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium.

Molecular Properties

Compound Namecarbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium
PubChem CID165148086
Molecular FormulaC34H34IrN4O2-2
Molecular Weight722.89 g/mol
Exact Mass723.23
IUPAC Namecarbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium
SMILESC[NH+]1C=CN(c2cccc3c2oc2ccccc23)[CH-]1.C[NH+]1C=CN(c2cccc3c2oc2ccccc23)[CH-]1.[CH3-].[CH3-].[Ir]
InChIInChI=1S/2C16H14N2O.2CH3.Ir/c2*1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;;;/h2*2-11,17H,1H3;2*1H3;/q;;2*-1;
InChIKeyRGPACJAYMXTMSQ-UHFFFAOYSA-N
XLogP5.92
TPSA41.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 137490049
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium
CID 176870121
(2R)-1,2-dimethyl-3-(3-methyldibenzofuran-4-yl)-1,2-dihydroimidazol-1-ium iodide
CID 170140733
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
1-dibenzofuran-4-yl-5-(2,6-dimethylphenyl)imidazole
CID 155758564
1-dibenzofuran-4-yl-2-ethylbenzimidazole
CID 118020061
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
CID 174067474
CID 174067474

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium?
The IUPAC name of carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium (CID 165148086) is carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium.
What is the SMILES notation for carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium?
The canonical SMILES for carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium is C[NH+]1C=CN(c2cccc3c2oc2ccccc23)[CH-]1.C[NH+]1C=CN(c2cccc3c2oc2ccccc23)[CH-]1.[CH3-].[CH3-].[Ir].
What is the InChIKey of carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium?
The InChIKey is RGPACJAYMXTMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14N2O.2CH3.Ir/c2*1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;;;/h2*2-11,17H,1H3;2*1H3;/q;;2*-1;.
What are the key properties of carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium?
carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium has a molecular weight of 722.89 g/mol, XLogP of 5.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(3-dibenzofuran-4-yl-1-methyl-1,2-dihydroimidazol-1-ium-2-ide);iridium is sourced from PubChem (CID 165148086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).