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

C84H48Ir6N18O6-6 — CID 162184866

IUPAChexakis(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
SMILES[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3cccnc32)c1-n1cccn1.[c-]1ccc2c(oc3ccncc32)c1-n1cccn1.[c-]1ccc2c(oc3cnccc32)c1-n1cccn1.[c-]1ccc2c(oc3ncccc32)c1-n1cccn1.[c-]1cnc2c(oc3ccccc32)c1-n1cccn1.[c-]1ncc2c(oc3ccccc32)c1-n1cccn1
InChIInChI=1S/6C14H8N3O.6Ir/c1-4-10-11-5-2-7-15-14(11)18-13(10)12(6-1)17-9-3-8-16-17;1-4-10-13-12(6-2-7-15-13)18-14(10)11(5-1)17-9-3-8-16-17;1-3-11-10-5-7-15-9-13(10)18-14(11)12(4-1)17-8-2-6-16-17;1-3-10-11-9-15-7-5-13(11)18-14(10)12(4-1)17-8-2-6-16-17;1-2-5-12-10(4-1)13-14(18-12)11(6-8-15-13)17-9-3-7-16-17;1-2-5-13-10(4-1)11-8-15-9-12(14(11)18-13)17-7-3-6-16-17;;;;;;/h1-5,7-9H;1-4,6-9H;2*1-3,5-9H;1-5,7-9H;1-8H;;;;;;/q6*-1;;;;;;
InChIKeyFSOZPZLLQZSTOV-UHFFFAOYSA-N
MW2558.73 g/mol
LogP17.79
Rot. Bonds6

About 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

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 (PubChem CID 162184866) has the molecular formula C84H48Ir6N18O6-6 and a molecular weight of 2558.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namehexakis(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
PubChem CID162184866
Molecular FormulaC84H48Ir6N18O6-6
Molecular Weight2558.73 g/mol
Exact Mass2562.18
IUPAC Namehexakis(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
SMILES[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3cccnc32)c1-n1cccn1.[c-]1ccc2c(oc3ccncc32)c1-n1cccn1.[c-]1ccc2c(oc3cnccc32)c1-n1cccn1.[c-]1ccc2c(oc3ncccc32)c1-n1cccn1.[c-]1cnc2c(oc3ccccc32)c1-n1cccn1.[c-]1ncc2c(oc3ccccc32)c1-n1cccn1
InChIInChI=1S/6C14H8N3O.6Ir/c1-4-10-11-5-2-7-15-14(11)18-13(10)12(6-1)17-9-3-8-16-17;1-4-10-13-12(6-2-7-15-13)18-14(10)11(5-1)17-9-3-8-16-17;1-3-11-10-5-7-15-9-13(10)18-14(11)12(4-1)17-8-2-6-16-17;1-3-10-11-9-15-7-5-13(11)18-14(10)12(4-1)17-8-2-6-16-17;1-2-5-12-10(4-1)13-14(18-12)11(6-8-15-13)17-9-3-7-16-17;1-2-5-13-10(4-1)11-8-15-9-12(14(11)18-13)17-7-3-6-16-17;;;;;;/h1-5,7-9H;1-4,6-9H;2*1-3,5-9H;1-5,7-9H;1-8H;;;;;;/q6*-1;;;;;;
InChIKeyFSOZPZLLQZSTOV-UHFFFAOYSA-N
XLogP17.79
TPSA263.10 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002558.73
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 158403740
4-(4-ethylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;6-(4-ethylphenyl)-[1]benzofuro[3,2-c]pyridine;8-(4-ethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 158435585
4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 157380609
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
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
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium
CID 59858920
iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole
CID 59858963
ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;bis(7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine);7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 159110388
8-pyrazol-1-yl-[1]benzofuro[2,3-b]pyridine
CID 59858978
benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene
CID 159220756
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3cccnc32)c1-n1cccn1.[c-]1ccc2c(oc3ccncc32)c1-n1cccn1.[c-]1ccc2c(oc3cnccc32)c1-n1cccn1.[c-]1ccc2c(oc3ncccc32)c1-n1cccn1.[c-]1cnc2c(oc3ccccc32)c1-n1cccn1.[c-]1ncc2c(oc3ccccc32)c1-n1cccn1.
What is the InChIKey of 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?
The InChIKey is FSOZPZLLQZSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C14H8N3O.6Ir/c1-4-10-11-5-2-7-15-14(11)18-13(10)12(6-1)17-9-3-8-16-17;1-4-10-13-12(6-2-7-15-13)18-14(10)11(5-1)17-9-3-8-16-17;1-3-11-10-5-7-15-9-13(10)18-14(11)12(4-1)17-8-2-6-16-17;1-3-10-11-9-15-7-5-13(11)18-14(10)12(4-1)17-8-2-6-16-17;1-2-5-12-10(4-1)13-14(18-12)11(6-8-15-13)17-9-3-7-16-17;1-2-5-13-10(4-1)11-8-15-9-12(14(11)18-13)17-7-3-6-16-17;;;;;;/h1-5,7-9H;1-4,6-9H;2*1-3,5-9H;1-5,7-9H;1-8H;;;;;;/q6*-1;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2558.73 g/mol, XLogP of 17.79, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162184866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).