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

C16H10F3IrN2O- — CID 59515016

IUPAC7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
SMILESCc1nc2c(n1C)-c1cccc3cc(OC(F)(F)F)[c-]c-2c13.[Ir]
InChIInChI=1S/C16H10F3N2O.Ir/c1-8-20-14-12-7-10(22-16(17,18)19)6-9-4-3-5-11(13(9)12)15(14)21(8)2;/h3-6H,1-2H3;/q-1;
InChIKeyLZUFDXPXPJJQAK-UHFFFAOYSA-N
MW495.48 g/mol
LogP4.23
Rot. Bonds1

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

7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium (PubChem CID 59515016) has the molecular formula C16H10F3IrN2O- and a molecular weight of 495.48 g/mol. Its IUPAC name is 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium.

Molecular Properties

Compound Name7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
PubChem CID59515016
Molecular FormulaC16H10F3IrN2O-
Molecular Weight495.48 g/mol
Exact Mass496.04
IUPAC Name7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
SMILESCc1nc2c(n1C)-c1cccc3cc(OC(F)(F)F)[c-]c-2c13.[Ir]
InChIInChI=1S/C16H10F3N2O.Ir/c1-8-20-14-12-7-10(22-16(17,18)19)6-9-4-3-5-11(13(9)12)15(14)21(8)2;/h3-6H,1-2H3;/q-1;
InChIKeyLZUFDXPXPJJQAK-UHFFFAOYSA-N
XLogP4.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 54.23
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-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-[5-(Cyclohexa-1,5-dien-1-ylmethoxy)-2,3-dihydropyridin-4-yl]-3-methyl-6-(trifluoromethyl)-4,5-dihydrobenzimidazole
CID 91366096
iridium;2-methoxy-7,8-dimethyl-1H-acenaphthyleno[1,2-d]imidazol-1-ide
CID 59515033
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 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
The IUPAC name of 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium (CID 59515016) is 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium.
What is the SMILES notation for 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
The canonical SMILES for 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium is Cc1nc2c(n1C)-c1cccc3cc(OC(F)(F)F)[c-]c-2c13.[Ir].
What is the InChIKey of 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
The InChIKey is LZUFDXPXPJJQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2O.Ir/c1-8-20-14-12-7-10(22-16(17,18)19)6-9-4-3-5-11(13(9)12)15(14)21(8)2;/h3-6H,1-2H3;/q-1;.
What are the key properties of 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium has a molecular weight of 495.48 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-(trifluoromethoxy)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium is sourced from PubChem (CID 59515016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).