5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)

C97H71FIr3N3O12-3 — CID 161321655

IUPAC5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c(-c2ccccc2)oc2cnc(-c3[c-]ccc4c3oc3ccccc34)cc12.Fc1ccc(-c2cc3cc(-c4[c-]ccc5c4oc4ccccc45)ncc3o2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc2c(-c3ccccc3)c(-c3ccccc3)oc2cn1
InChIInChI=1S/C31H18NO2.C26H16NO2.C25H13FNO2.3C5H8O2.3Ir/c1-3-10-20(11-4-1)29-25-18-26(32-19-28(25)34-30(29)21-12-5-2-6-13-21)24-16-9-15-23-22-14-7-8-17-27(22)33-31(23)24;1-16-21-14-22(27-15-24(21)29-25(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)28-26(19)20;26-17-10-8-15(9-11-17)23-13-16-12-21(27-14-24(16)28-23)20-6-3-5-19-18-4-1-2-7-22(18)29-25(19)20;3*1-4(6)3-5(2)7;;;/h1-15,17-19H;2-11,13-15H,1H3;1-5,7-14H;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyXLRSQSXBUMSCHG-UHFFFAOYSA-N
MW2066.29 g/mol
LogP25.80
Rot. Bonds10

About 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)

5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) (PubChem CID 161321655) has the molecular formula C97H71FIr3N3O12-3 and a molecular weight of 2066.29 g/mol. Its IUPAC name is 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium).

Molecular Properties

Compound Name5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
PubChem CID161321655
Molecular FormulaC97H71FIr3N3O12-3
Molecular Weight2066.29 g/mol
Exact Mass2067.39
IUPAC Name5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c(-c2ccccc2)oc2cnc(-c3[c-]ccc4c3oc3ccccc34)cc12.Fc1ccc(-c2cc3cc(-c4[c-]ccc5c4oc4ccccc45)ncc3o2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc2c(-c3ccccc3)c(-c3ccccc3)oc2cn1
InChIInChI=1S/C31H18NO2.C26H16NO2.C25H13FNO2.3C5H8O2.3Ir/c1-3-10-20(11-4-1)29-25-18-26(32-19-28(25)34-30(29)21-12-5-2-6-13-21)24-16-9-15-23-22-14-7-8-17-27(22)33-31(23)24;1-16-21-14-22(27-15-24(21)29-25(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)28-26(19)20;26-17-10-8-15(9-11-17)23-13-16-12-21(27-14-24(16)28-23)20-6-3-5-19-18-4-1-2-7-22(18)29-25(19)20;3*1-4(6)3-5(2)7;;;/h1-15,17-19H;2-11,13-15H,1H3;1-5,7-14H;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyXLRSQSXBUMSCHG-UHFFFAOYSA-N
XLogP25.80
TPSA229.41 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.29
LogP ≤ 525.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) with MolForge

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Related Compounds

5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;8-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-5-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-methyl-8-(2-phenylfuro[2,3-c]pyridin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 159604453
5-(3,5-dimethylbenzene-6-id-1-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 161128102
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3H-dibenzofuran-3-id-4-yl)furo[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626295
5-(3H-dibenzofuran-3-id-4-yl)-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629230
5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
CID 161388618
8-[2-(3,5-ditert-butylphenyl)furo[2,3-c]pyridin-5-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626342
8-[2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-c]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626077
5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)selenopheno[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628530
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(4-methylphenyl)-5-(3-phenylbenzene-6-id-1-yl)furo[2,3-c]pyridine
CID 155626083
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylfuro[2,3-c]pyridine
CID 153474938
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-fluorophenyl)selenopheno[3,2-c]pyridine;6-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)selenopheno[3,2-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
CID 160853543
6-(3H-dibenzofuran-3-id-4-yl)-2-(2,4,6-trimethylphenyl)furo[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628678

Frequently Asked Questions

What is the IUPAC name of 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
The IUPAC name of 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) (CID 161321655) is 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium).
What is the SMILES notation for 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
The canonical SMILES for 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c(-c2ccccc2)oc2cnc(-c3[c-]ccc4c3oc3ccccc34)cc12.Fc1ccc(-c2cc3cc(-c4[c-]ccc5c4oc4ccccc45)ncc3o2)cc1.[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc2c(-c3ccccc3)c(-c3ccccc3)oc2cn1.
What is the InChIKey of 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
The InChIKey is XLRSQSXBUMSCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18NO2.C26H16NO2.C25H13FNO2.3C5H8O2.3Ir/c1-3-10-20(11-4-1)29-25-18-26(32-19-28(25)34-30(29)21-12-5-2-6-13-21)24-16-9-15-23-22-14-7-8-17-27(22)33-31(23)24;1-16-21-14-22(27-15-24(21)29-25(16)17-8-3-2-4-9-17)20-12-7-11-19-18-10-5-6-13-23(18)28-26(19)20;26-17-10-8-15(9-11-17)23-13-16-12-21(27-14-24(16)28-23)20-6-3-5-19-18-4-1-2-7-22(18)29-25(19)20;3*1-4(6)3-5(2)7;;;/h1-15,17-19H;2-11,13-15H,1H3;1-5,7-14H;3*3,6H,1-2H3;;;/q3*-1;;;;;;.
What are the key properties of 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) has a molecular weight of 2066.29 g/mol, XLogP of 25.80, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-dibenzofuran-3-id-4-yl)-2,3-diphenylfuro[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)furo[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) is sourced from PubChem (CID 161321655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).