1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium

C15H9IrN2O- — CID 59858920

IUPAC1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium
SMILES[Ir].[c-]1ccc2oc3ccccc3c2c1-n1cccn1
InChIInChI=1S/C15H9N2O.Ir/c1-2-7-13-11(5-1)15-12(17-10-4-9-16-17)6-3-8-14(15)18-13;/h1-5,7-10H;/q-1;
InChIKeyJRYHQJUMGZUXBY-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.57
Rot. Bonds1

About 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium

1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium (PubChem CID 59858920) has the molecular formula C15H9IrN2O- and a molecular weight of 425.47 g/mol. Its IUPAC name is 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium.

Molecular Properties

Compound Name1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium
PubChem CID59858920
Molecular FormulaC15H9IrN2O-
Molecular Weight425.47 g/mol
Exact Mass426.03
IUPAC Name1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium
SMILES[Ir].[c-]1ccc2oc3ccccc3c2c1-n1cccn1
InChIInChI=1S/C15H9N2O.Ir/c1-2-7-13-11(5-1)15-12(17-10-4-9-16-17)6-3-8-14(15)18-13;/h1-5,7-10H;/q-1;
InChIKeyJRYHQJUMGZUXBY-UHFFFAOYSA-N
XLogP3.57
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.57
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

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
iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole
CID 59858963
1-(4-dibenzofuran-3-ylphenyl)pyrazole
CID 140714857
1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole
CID 156627335
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
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ylium);iridium
CID 176851543
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
2-pyrazol-1-yl-3,1-benzoxazin-4-one
CID 134853817
[2-([1]benzofuro[3,2-c]pyridin-1-yl)benzene-3-id-1-yl]-trimethylsilane;iridium
CID 155619347
12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene
CID 163793172
CID 140637817
CID 140637817
3-pyrazol-1-ylchromen-4-one
CID 56996312

Frequently Asked Questions

What is the IUPAC name of 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium?
The IUPAC name of 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium (CID 59858920) is 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium.
What is the SMILES notation for 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium?
The canonical SMILES for 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium is [Ir].[c-]1ccc2oc3ccccc3c2c1-n1cccn1.
What is the InChIKey of 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium?
The InChIKey is JRYHQJUMGZUXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N2O.Ir/c1-2-7-13-11(5-1)15-12(17-10-4-9-16-17)6-3-8-14(15)18-13;/h1-5,7-10H;/q-1;.
What are the key properties of 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium?
1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium has a molecular weight of 425.47 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium is sourced from PubChem (CID 59858920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).