iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide

C16H13IrN2O- — CID 59515033

IUPACiridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide
SMILESCOc1[c-]c2c3c(cccc3c1)-c1c-2nc(C)n1C.[Ir]
InChIInChI=1S/C16H13N2O.Ir/c1-9-17-15-13-8-11(19-3)7-10-5-4-6-12(14(10)13)16(15)18(9)2;/h4-7H,1-3H3;/q-1;
InChIKeyKAUQETGETGRMJB-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.34
Rot. Bonds1

About iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide

iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide (PubChem CID 59515033) has the molecular formula C16H13IrN2O- and a molecular weight of 441.51 g/mol. Its IUPAC name is iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide.

Molecular Properties

Compound Nameiridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide
PubChem CID59515033
Molecular FormulaC16H13IrN2O-
Molecular Weight441.51 g/mol
Exact Mass442.07
IUPAC Nameiridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide
SMILESCOc1[c-]c2c3c(cccc3c1)-c1c-2nc(C)n1C.[Ir]
InChIInChI=1S/C16H13N2O.Ir/c1-9-17-15-13-8-11(19-3)7-10-5-4-6-12(14(10)13)16(15)18(9)2;/h4-7H,1-3H3;/q-1;
InChIKeyKAUQETGETGRMJB-UHFFFAOYSA-N
XLogP3.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.34
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

7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515016
7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515031
7,8-dimethyl-3-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515037
7,8-dimethyl-2-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515044
2-fluoro-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515042
3-fluoro-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
CID 59515047

Frequently Asked Questions

What is the IUPAC name of iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide?
The IUPAC name of iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide (CID 59515033) is iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide.
What is the SMILES notation for iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide?
The canonical SMILES for iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide is COc1[c-]c2c3c(cccc3c1)-c1c-2nc(C)n1C.[Ir].
What is the InChIKey of iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide?
The InChIKey is KAUQETGETGRMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2O.Ir/c1-9-17-15-13-8-11(19-3)7-10-5-4-6-12(14(10)13)16(15)18(9)2;/h4-7H,1-3H3;/q-1;.
What are the key properties of iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide?
iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide has a molecular weight of 441.51 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide is sourced from PubChem (CID 59515033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).