1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)

C76H41F6Ir5N10O5-5 — CID 158030438

IUPAC1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)
SMILESFC(F)(F)c1cnn(-c2[c-]ccc3c2oc2ccccc23)c1.Fc1ccn(-c2[c-]ccc3c2oc2ccccc23)n1.Fc1ccnn1-c1[c-]ccc2c1oc1ccccc12.Fc1cnn(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-n1cccn1
InChIInChI=1S/C16H8F3N2O.3C15H8FN2O.C15H9N2O.5Ir/c17-16(18,19)10-8-20-21(9-10)13-6-3-5-12-11-4-1-2-7-14(11)22-15(12)13;16-10-8-17-18(9-10)13-6-3-5-12-11-4-1-2-7-14(11)19-15(12)13;16-14-8-9-18(17-14)12-6-3-5-11-10-4-1-2-7-13(10)19-15(11)12;16-14-8-9-17-18(14)12-6-3-5-11-10-4-1-2-7-13(10)19-15(11)12;1-2-8-14-11(5-1)12-6-3-7-13(15(12)18-14)17-10-4-9-16-17;;;;;/h1-5,7-9H;3*1-5,7-9H;1-6,8-10H;;;;;/q5*-1;;;;;
InChIKeyWNSBRWTWABRYBE-UHFFFAOYSA-N
MW2249.30 g/mol
LogP19.28
Rot. Bonds5

About 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)

1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium) (PubChem CID 158030438) has the molecular formula C76H41F6Ir5N10O5-5 and a molecular weight of 2249.30 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium).

Molecular Properties

Compound Name1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)
PubChem CID158030438
Molecular FormulaC76H41F6Ir5N10O5-5
Molecular Weight2249.30 g/mol
Exact Mass2252.13
IUPAC Name1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)
SMILESFC(F)(F)c1cnn(-c2[c-]ccc3c2oc2ccccc23)c1.Fc1ccn(-c2[c-]ccc3c2oc2ccccc23)n1.Fc1ccnn1-c1[c-]ccc2c1oc1ccccc12.Fc1cnn(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-n1cccn1
InChIInChI=1S/C16H8F3N2O.3C15H8FN2O.C15H9N2O.5Ir/c17-16(18,19)10-8-20-21(9-10)13-6-3-5-12-11-4-1-2-7-14(11)22-15(12)13;16-10-8-17-18(9-10)13-6-3-5-12-11-4-1-2-7-14(11)19-15(12)13;16-14-8-9-18(17-14)12-6-3-5-11-10-4-1-2-7-13(10)19-15(11)12;16-14-8-9-17-18(14)12-6-3-5-11-10-4-1-2-7-13(10)19-15(11)12;1-2-8-14-11(5-1)12-6-3-7-13(15(12)18-14)17-10-4-9-16-17;;;;;/h1-5,7-9H;3*1-5,7-9H;1-6,8-10H;;;;;/q5*-1;;;;;
InChIKeyWNSBRWTWABRYBE-UHFFFAOYSA-N
XLogP19.28
TPSA154.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002249.30
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium) with MolForge

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Related Compounds

1-(3H-dibenzofuran-3-id-4-yl)pyrazole;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;iridium
CID 59858884
1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium
CID 59858920
iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole
CID 59858963
hexakis(iridium);4-pyrazol-1-yl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;6-pyrazol-1-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyrazol-1-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-pyrazol-1-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;6-pyrazol-1-yl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-pyrazol-1-yl-7H-[1]benzofuro[2,3-c]pyridin-7-ide
CID 162184866
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ylium);iridium
CID 176851543
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium
CID 176870121
1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium
CID 140735894
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);iridium(3+)
CID 171576778
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;4,5-dimethyl-2-phenylpyridine;iridium
CID 176851564
bis(4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+);2-phenylpyridine
CID 167425260
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
1-(4-dibenzofuran-3-ylphenyl)pyrazole
CID 140714857

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)?
The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium) (CID 158030438) is 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium).
What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)?
The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium) is FC(F)(F)c1cnn(-c2[c-]ccc3c2oc2ccccc23)c1.Fc1ccn(-c2[c-]ccc3c2oc2ccccc23)n1.Fc1ccnn1-c1[c-]ccc2c1oc1ccccc12.Fc1cnn(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-n1cccn1.
What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)?
The InChIKey is WNSBRWTWABRYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N2O.3C15H8FN2O.C15H9N2O.5Ir/c17-16(18,19)10-8-20-21(9-10)13-6-3-5-12-11-4-1-2-7-14(11)22-15(12)13;16-10-8-17-18(9-10)13-6-3-5-12-11-4-1-2-7-14(11)19-15(12)13;16-14-8-9-18(17-14)12-6-3-5-11-10-4-1-2-7-13(10)19-15(11)12;16-14-8-9-17-18(14)12-6-3-5-11-10-4-1-2-7-13(10)19-15(11)12;1-2-8-14-11(5-1)12-6-3-7-13(15(12)18-14)17-10-4-9-16-17;;;;;/h1-5,7-9H;3*1-5,7-9H;1-6,8-10H;;;;;/q5*-1;;;;;.
What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium)?
1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium) has a molecular weight of 2249.30 g/mol, XLogP of 19.28, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzofuran-3-id-4-yl)-3-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)-5-fluoropyrazole;1-(3H-dibenzofuran-3-id-4-yl)pyrazole;1-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyrazole;pentakis(iridium) is sourced from PubChem (CID 158030438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).