7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium

C16H10F3IrN2- — CID 59515031

IUPAC7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
SMILESCc1nc2c(n1C)-c1cccc3c(C(F)(F)F)c[c-]c-2c13.[Ir]
InChIInChI=1S/C16H10F3N2.Ir/c1-8-20-14-10-6-7-12(16(17,18)19)9-4-3-5-11(13(9)10)15(14)21(8)2;/h3-5,7H,1-2H3;/q-1;
InChIKeyXPSJDDQWHLBISS-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.35
Rot. Bonds

About 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium

7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium (PubChem CID 59515031) has the molecular formula C16H10F3IrN2- and a molecular weight of 479.48 g/mol. Its IUPAC name is 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium.

Molecular Properties

Compound Name7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
PubChem CID59515031
Molecular FormulaC16H10F3IrN2-
Molecular Weight479.48 g/mol
Exact Mass480.04
IUPAC Name7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium
SMILESCc1nc2c(n1C)-c1cccc3c(C(F)(F)F)c[c-]c-2c13.[Ir]
InChIInChI=1S/C16H10F3N2.Ir/c1-8-20-14-10-6-7-12(16(17,18)19)9-4-3-5-11(13(9)10)15(14)21(8)2;/h3-5,7H,1-2H3;/q-1;
InChIKeyXPSJDDQWHLBISS-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(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
Bis(5-methyl-4-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661443
3-Ethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazole
CID 142266427
Ethane;2-ethyl-3-methyl-6-(trifluoromethyl)-4,5-dihydrobenzimidazole
CID 144175248
1,3-Dimethyl-2-(trifluoromethyl)-4,5-dihydrobenzimidazol-1-ium
CID 153681493
2-Ethyl-3-methyl-6-(trifluoromethyl)-4,5-dihydrobenzimidazole
CID 144175249
4-(2,4-Difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;iridium
CID 57596171
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-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
The IUPAC name of 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium (CID 59515031) is 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium.
What is the SMILES notation for 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
The canonical SMILES for 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium is Cc1nc2c(n1C)-c1cccc3c(C(F)(F)F)c[c-]c-2c13.[Ir].
What is the InChIKey of 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
The InChIKey is XPSJDDQWHLBISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N2.Ir/c1-8-20-14-10-6-7-12(16(17,18)19)9-4-3-5-11(13(9)10)15(14)21(8)2;/h3-5,7H,1-2H3;/q-1;.
What are the key properties of 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium?
7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium has a molecular weight of 479.48 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-(trifluoromethyl)-1H-acenaphthyleno[1,2-d]imidazol-1-ide;iridium is sourced from PubChem (CID 59515031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).