tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide

C84H72Ir4N20-12 — CID 58274050

IUPACtetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide
SMILESCn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/8C10H9N2.4CN.4Ir/c8*1-12-8-7-11-10(12)9-5-3-2-4-6-9;4*1-2;;;;/h8*2-5,7-8H,1H3;;;;;;;;/q12*-1;;;;
InChIKeyLSZXCHQPWICCKL-UHFFFAOYSA-N
MW2130.51 g/mol
LogP15.47
Rot. Bonds8

About tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide

tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide (PubChem CID 58274050) has the molecular formula C84H72Ir4N20-12 and a molecular weight of 2130.51 g/mol. Its IUPAC name is tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide.

Molecular Properties

Compound Nametetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide
PubChem CID58274050
Molecular FormulaC84H72Ir4N20-12
Molecular Weight2130.51 g/mol
Exact Mass2132.48
IUPAC Nametetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide
SMILESCn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/8C10H9N2.4CN.4Ir/c8*1-12-8-7-11-10(12)9-5-3-2-4-6-9;4*1-2;;;;/h8*2-5,7-8H,1H3;;;;;;;;/q12*-1;;;;
InChIKeyLSZXCHQPWICCKL-UHFFFAOYSA-N
XLogP15.47
TPSA237.72 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.51
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Related Compounds

iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
2-(2,4-Dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
CID 58401313
Tris(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 58401368
Iridium(3+);tris(1-methyl-2-phenylimidazole)
CID 58401538
Iridium(3+);2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole)
CID 58401633
Tris(1,4-dimethyl-2-phenylimidazole);iridium(3+)
CID 58401716
1-Methyl-2-phenylimidazole;1-methyl-2-phenylimidazol-1-ium-3-ide;platinum
CID 58401739
Iridium(3+);tris(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole)
CID 58401797
9,10,11,12,21,22,23,24-Octa(imidazol-1-yl)-3,6-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 58732001
Iridium;3-(1-methylimidazol-2-yl)-1,2-diaza-4-azanidacyclopenta-2,5-diene;1-methyl-2-phenylimidazole
CID 58856394
Tris(2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 59661504

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide?
The IUPAC name of tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide (CID 58274050) is tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide.
What is the SMILES notation for tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide?
The canonical SMILES for tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide is Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.Cn1ccnc1-c1[c-]cccc1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide?
The InChIKey is LSZXCHQPWICCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/8C10H9N2.4CN.4Ir/c8*1-12-8-7-11-10(12)9-5-3-2-4-6-9;4*1-2;;;;/h8*2-5,7-8H,1H3;;;;;;;;/q12*-1;;;;.
What are the key properties of tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide?
tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide has a molecular weight of 2130.51 g/mol, XLogP of 15.47, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);octakis(1-methyl-2-phenylimidazole);tetracyanide is sourced from PubChem (CID 58274050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).