2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine

C93H78Ir3N3O9-3 — CID 158500559

IUPAC2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc(-c2cc3ccc(-c4[c-]ccc(-c5ccccc5)c4)nc3o2)cc1.Cc1cccc(C)c1-c1cc2ccc(-c3[c-]ccc(-c4ccccc4)c3)nc2o1.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccc2cc(-c3ccccc3)oc2n1
InChIInChI=1S/C27H20NO.C26H18NO.C25H16NO.3C5H8O2.3Ir/c1-18-8-6-9-19(2)26(18)25-17-23-14-15-24(28-27(23)29-25)22-13-7-12-21(16-22)20-10-4-3-5-11-20;1-18-10-12-20(13-11-18)25-17-23-14-15-24(27-26(23)28-25)22-9-5-8-21(16-22)19-6-3-2-4-7-19;1-3-8-18(9-4-1)20-12-7-13-21(16-20)23-15-14-22-17-24(27-25(22)26-23)19-10-5-2-6-11-19;3*1-4(6)3-5(2)7;;;/h3-12,14-17H,1-2H3;2-8,10-17H,1H3;1-12,14-17H;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyRIVGJLHLRLMSNP-UHFFFAOYSA-N
MW1958.31 g/mol
LogP23.92
Rot. Bonds12

About 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine

2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine (PubChem CID 158500559) has the molecular formula C93H78Ir3N3O9-3 and a molecular weight of 1958.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine
PubChem CID158500559
Molecular FormulaC93H78Ir3N3O9-3
Molecular Weight1958.31 g/mol
Exact Mass1959.46
IUPAC Name2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc(-c2cc3ccc(-c4[c-]ccc(-c5ccccc5)c4)nc3o2)cc1.Cc1cccc(C)c1-c1cc2ccc(-c3[c-]ccc(-c4ccccc4)c3)nc2o1.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccc2cc(-c3ccccc3)oc2n1
InChIInChI=1S/C27H20NO.C26H18NO.C25H16NO.3C5H8O2.3Ir/c1-18-8-6-9-19(2)26(18)25-17-23-14-15-24(28-27(23)29-25)22-13-7-12-21(16-22)20-10-4-3-5-11-20;1-18-10-12-20(13-11-18)25-17-23-14-15-24(27-26(23)28-25)22-9-5-8-21(16-22)19-6-3-2-4-7-19;1-3-8-18(9-4-1)20-12-7-13-21(16-20)23-15-14-22-17-24(27-25(22)26-23)19-10-5-2-6-11-19;3*1-4(6)3-5(2)7;;;/h3-12,14-17H,1-2H3;2-8,10-17H,1H3;1-12,14-17H;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyRIVGJLHLRLMSNP-UHFFFAOYSA-N
XLogP23.92
TPSA189.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.31
LogP ≤ 523.92
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 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine with MolForge

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Related Compounds

2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626171
(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
2-(2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methylphenyl)-5-phenylfuro[3,2-b]pyridine;2-phenyl-5-phenylfuro[3,2-b]pyridine;5-phenyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 159663454
8-[2-[4-(2,6-dimethylphenyl)phenyl]furo[2,3-b]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629215
(Z)-4-hydroxypent-3-en-2-one;iridium;6-(3-phenylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)thieno[2,3-b]pyridine
CID 155628758
2-(3,5-ditert-butylphenyl)-6-phenylfuro[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628597
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-(3-phenylbenzene-6-id-1-yl)thieno[3,2-b]pyridine
CID 155628834
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
6-(3,5-dimethylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628524
10H-benzo[h]quinolin-10-ide;bis(4-hydroxypent-3-en-2-one);bis(iridium);7-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline
CID 160647236
4-hydroxypent-3-en-2-one;iridium;6-(3-phenylbenzene-6-id-1-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 149363015
(Z)-4-hydroxypent-3-en-2-one;iridium;6-(3-phenylbenzene-6-id-1-yl)-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621838

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine (CID 158500559) is 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc(-c2cc3ccc(-c4[c-]ccc(-c5ccccc5)c4)nc3o2)cc1.Cc1cccc(C)c1-c1cc2ccc(-c3[c-]ccc(-c4ccccc4)c3)nc2o1.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1ccc2cc(-c3ccccc3)oc2n1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine?
The InChIKey is RIVGJLHLRLMSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20NO.C26H18NO.C25H16NO.3C5H8O2.3Ir/c1-18-8-6-9-19(2)26(18)25-17-23-14-15-24(28-27(23)29-25)22-13-7-12-21(16-22)20-10-4-3-5-11-20;1-18-10-12-20(13-11-18)25-17-23-14-15-24(27-26(23)28-25)22-9-5-8-21(16-22)19-6-3-2-4-7-19;1-3-8-18(9-4-1)20-12-7-13-21(16-20)23-15-14-22-17-24(27-25(22)26-23)19-10-5-2-6-11-19;3*1-4(6)3-5(2)7;;;/h3-12,14-17H,1-2H3;2-8,10-17H,1H3;1-12,14-17H;3*3,6H,1-2H3;;;/q3*-1;;;;;;.
What are the key properties of 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine?
2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine has a molecular weight of 1958.31 g/mol, XLogP of 23.92, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-(4-methylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine;2-phenyl-6-(3-phenylbenzene-6-id-1-yl)furo[2,3-b]pyridine is sourced from PubChem (CID 158500559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).