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)

C85H77FIr3N3O9-3 — CID 161128102

IUPAC5-(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)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc3c(-c4ccccc4)c(-c4ccccc4)oc3cn2)cc(C)c1.Cc1[c-]c(-c2cc3c(C)c(-c4ccccc4)oc3cn2)cc(C)c1.Cc1[c-]c(-c2cc3cc(-c4ccc(F)cc4)oc3cn2)cc(C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H20NO.C22H18NO.C21H15FNO.3C5H8O2.3Ir/c1-18-13-19(2)15-22(14-18)24-16-23-25(17-28-24)29-27(21-11-7-4-8-12-21)26(23)20-9-5-3-6-10-20;1-14-9-15(2)11-18(10-14)20-12-19-16(3)22(24-21(19)13-23-20)17-7-5-4-6-8-17;1-13-7-14(2)9-16(8-13)19-10-17-11-20(24-21(17)12-23-19)15-3-5-18(22)6-4-15;3*1-4(6)3-5(2)7;;;/h3-14,16-17H,1-2H3;4-10,12-13H,1-3H3;3-8,10-12H,1-2H3;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyJKZPWUFMKNIATH-UHFFFAOYSA-N
MW1880.21 g/mol
LogP21.96
Rot. Bonds10

About 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)

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) (PubChem CID 161128102) has the molecular formula C85H77FIr3N3O9-3 and a molecular weight of 1880.21 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name5-(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)
PubChem CID161128102
Molecular FormulaC85H77FIr3N3O9-3
Molecular Weight1880.21 g/mol
Exact Mass1881.45
IUPAC Name5-(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)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc3c(-c4ccccc4)c(-c4ccccc4)oc3cn2)cc(C)c1.Cc1[c-]c(-c2cc3c(C)c(-c4ccccc4)oc3cn2)cc(C)c1.Cc1[c-]c(-c2cc3cc(-c4ccc(F)cc4)oc3cn2)cc(C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C27H20NO.C22H18NO.C21H15FNO.3C5H8O2.3Ir/c1-18-13-19(2)15-22(14-18)24-16-23-25(17-28-24)29-27(21-11-7-4-8-12-21)26(23)20-9-5-3-6-10-20;1-14-9-15(2)11-18(10-14)20-12-19-16(3)22(24-21(19)13-23-20)17-7-5-4-6-8-17;1-13-7-14(2)9-16(8-13)19-10-17-11-20(24-21(17)12-23-19)15-3-5-18(22)6-4-15;3*1-4(6)3-5(2)7;;;/h3-14,16-17H,1-2H3;4-10,12-13H,1-3H3;3-8,10-12H,1-2H3;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyJKZPWUFMKNIATH-UHFFFAOYSA-N
XLogP21.96
TPSA189.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.21
LogP ≤ 521.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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-(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) with MolForge

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Related Compounds

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
5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-phenylfuro[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626772
5-(3,5-dimethylbenzene-6-id-1-yl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626590
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;5-(3,5-dimethylbenzene-6-id-1-yl)-2,3-diphenylfuro[2,3-c]pyridine;iridium
CID 155626446
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-fluorophenyl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626096
2-(3,5-ditert-butylphenyl)-5-(3,5-dimethylbenzene-6-id-1-yl)furo[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-2-(4-propan-2-ylphenyl)furo[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 161174618
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;5-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-phenylfuro[2,3-c]pyridine;iridium
CID 155626200
(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-(3,5-dimethylbenzene-6-id-1-yl)-2-(2,6-dimethylphenyl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626577
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626401
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;5-(3,5-dimethylbenzene-6-id-1-yl)-2-(4-propan-2-ylphenyl)furo[2,3-c]pyridine;iridium
CID 155626591

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc3c(-c4ccccc4)c(-c4ccccc4)oc3cn2)cc(C)c1.Cc1[c-]c(-c2cc3c(C)c(-c4ccccc4)oc3cn2)cc(C)c1.Cc1[c-]c(-c2cc3cc(-c4ccc(F)cc4)oc3cn2)cc(C)c1.[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is JKZPWUFMKNIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20NO.C22H18NO.C21H15FNO.3C5H8O2.3Ir/c1-18-13-19(2)15-22(14-18)24-16-23-25(17-28-24)29-27(21-11-7-4-8-12-21)26(23)20-9-5-3-6-10-20;1-14-9-15(2)11-18(10-14)20-12-19-16(3)22(24-21(19)13-23-20)17-7-5-4-6-8-17;1-13-7-14(2)9-16(8-13)19-10-17-11-20(24-21(17)12-23-19)15-3-5-18(22)6-4-15;3*1-4(6)3-5(2)7;;;/h3-14,16-17H,1-2H3;4-10,12-13H,1-3H3;3-8,10-12H,1-2H3;3*3,6H,1-2H3;;;/q3*-1;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 1880.21 g/mol, XLogP of 21.96, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161128102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).