bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C54H30F20Ir2N10-8 — CID 153425420

IUPACbis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.FC(F)(F)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.FC(F)(F)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].[Ir]
InChIInChI=1S/2C17H6F9N3.2C10H9FN2.2Ir/c2*18-15(19,20)9-3-1-8(2-4-9)11-5-10(16(21,22)23)6-12(27-11)13-7-14(29-28-13)17(24,25)26;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*1,3-7H;2*2-4,6-8H,1H3;;/q4*-2;;
InChIKeyGIDHPRAPBSKPGT-UHFFFAOYSA-N
MW1583.30 g/mol
LogP15.18
Rot. Bonds6

About bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 153425420) has the molecular formula C54H30F20Ir2N10-8 and a molecular weight of 1583.30 g/mol. Its IUPAC name is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Namebis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID153425420
Molecular FormulaC54H30F20Ir2N10-8
Molecular Weight1583.30 g/mol
Exact Mass1584.16
IUPAC Namebis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESCN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.FC(F)(F)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.FC(F)(F)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].[Ir]
InChIInChI=1S/2C17H6F9N3.2C10H9FN2.2Ir/c2*18-15(19,20)9-3-1-8(2-4-9)11-5-10(16(21,22)23)6-12(27-11)13-7-14(29-28-13)17(24,25)26;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*1,3-7H;2*2-4,6-8H,1H3;;/q4*-2;;
InChIKeyGIDHPRAPBSKPGT-UHFFFAOYSA-N
XLogP15.18
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001583.30
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium;4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525991
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738187
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-pyrazol-2-id-3-ylpyridine
CID 57738264
iridium;bis(1-methyl-4,5-diphenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738417
bis(1-(2,4-dimethylbenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738432
1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide;1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738593
bis(1-(4,6-dihydro-2H-pyren-2-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738648
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
Bis(3,5-dimethylpyrazol-1-ide);2-(3-fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772381

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 153425420) is bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.CN1C=CN(c2[c-]cc(F)cc2)[CH-]1.FC(F)(F)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.FC(F)(F)c1c[c-]c(-c2cc(C(F)(F)F)cc(-c3cc(C(F)(F)F)n[n-]3)n2)cc1.[Ir].[Ir].
What is the InChIKey of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is GIDHPRAPBSKPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H6F9N3.2C10H9FN2.2Ir/c2*18-15(19,20)9-3-1-8(2-4-9)11-5-10(16(21,22)23)6-12(27-11)13-7-14(29-28-13)17(24,25)26;2*1-12-6-7-13(8-12)10-4-2-9(11)3-5-10;;/h2*1,3-7H;2*2-4,6-8H,1H3;;/q4*-2;;.
What are the key properties of bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 1583.30 g/mol, XLogP of 15.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 153425420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).