tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium

C48H36IrN6O3-6 — CID 176870121

IUPACtris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium
SMILESCN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.[Ir]
InChIInChI=1S/3C16H12N2O.Ir/c3*1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;/h3*2-6,8-11H,1H3;/q3*-2;
InChIKeyFICWECPWLLPAEP-UHFFFAOYSA-N
MW937.07 g/mol
LogP11.18
Rot. Bonds3

About tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium

tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium (PubChem CID 176870121) has the molecular formula C48H36IrN6O3-6 and a molecular weight of 937.07 g/mol. Its IUPAC name is tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium.

Molecular Properties

Compound Nametris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium
PubChem CID176870121
Molecular FormulaC48H36IrN6O3-6
Molecular Weight937.07 g/mol
Exact Mass937.25
IUPAC Nametris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium
SMILESCN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.[Ir]
InChIInChI=1S/3C16H12N2O.Ir/c3*1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;/h3*2-6,8-11H,1H3;/q3*-2;
InChIKeyFICWECPWLLPAEP-UHFFFAOYSA-N
XLogP11.18
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.07
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 140735871
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-benzimidazol-2-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide
CID 140808122
tetrakis(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);tetrakis(iridium);bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);bis(1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide)
CID 158021693
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(1-phenyl-2,3-dihydropyrrol-2-id-3-yl)propyl]-2H-imidazol-2-ide
CID 162697164
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ylium);iridium
CID 176851543
carbanide;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazole;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 156626237
2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-methylpropyl)-2H-imidazol-2-ide;iridium
CID 170528504
1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium
CID 140735894
tetrakis(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);tetrakis(iridium);7-methyl-2-(2-methylphenyl)-9-phenyl-8H-purin-8-ide;7-methyl-9-phenyl-8H-purin-8-ide;9-methyl-7-phenyl-8H-purin-8-ide;1-phenyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide
CID 159776777
2-[1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-4-[3-(3H-dibenzofuran-3-id-4-yl)-2H-imidazol-2-id-1-yl]benzimidazol-2-yl]phenol;platinum(2+)
CID 164811941
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;bis(iridium);9-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-3,6-di(propan-2-yl)carbazole;9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-3,6-di(propan-2-yl)carbazole
CID 158442026
CID 140637801
CID 140637801

Frequently Asked Questions

What is the IUPAC name of tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium?
The IUPAC name of tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium (CID 176870121) is tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium.
What is the SMILES notation for tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium?
The canonical SMILES for tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium is CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.[Ir].
What is the InChIKey of tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium?
The InChIKey is FICWECPWLLPAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H12N2O.Ir/c3*1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;/h3*2-6,8-11H,1H3;/q3*-2;.
What are the key properties of tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium?
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium has a molecular weight of 937.07 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium is sourced from PubChem (CID 176870121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).