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

C102H92Ir4N4O12-4 — CID 159663454

IUPAC2-(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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)c(-c2cc3nc(-c4[c-]cccc4)ccc3o2)c(C)c1.Cc1ccc(-c2cc3nc(-c4[c-]cccc4)ccc3o2)cc1.Cc1cccc(C)c1-c1cc2nc(-c3[c-]cccc3)ccc2o1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2oc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H18NO.C21H16NO.C20H14NO.C19H12NO.4C5H8O2.4Ir/c1-14-11-15(2)22(16(3)12-14)21-13-19-20(24-21)10-9-18(23-19)17-7-5-4-6-8-17;1-14-7-6-8-15(2)21(14)20-13-18-19(23-20)12-11-17(22-18)16-9-4-3-5-10-16;1-14-7-9-16(10-8-14)20-13-18-19(22-20)12-11-17(21-18)15-5-3-2-4-6-15;1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;4*1-4(6)3-5(2)7;;;;/h4-7,9-13H,1-3H3;3-9,11-13H,1-2H3;2-5,7-13H,1H3;1-7,9-13H;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyQCEBUJORBQVPLY-UHFFFAOYSA-N
MW2334.74 g/mol
LogP25.84
Rot. Bonds12

About 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

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 (PubChem CID 159663454) has the molecular formula C102H92Ir4N4O12-4 and a molecular weight of 2334.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159663454
Molecular FormulaC102H92Ir4N4O12-4
Molecular Weight2334.74 g/mol
Exact Mass2336.53
IUPAC Name2-(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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)c(-c2cc3nc(-c4[c-]cccc4)ccc3o2)c(C)c1.Cc1ccc(-c2cc3nc(-c4[c-]cccc4)ccc3o2)cc1.Cc1cccc(C)c1-c1cc2nc(-c3[c-]cccc3)ccc2o1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2oc(-c3ccccc3)cc2n1
InChIInChI=1S/C22H18NO.C21H16NO.C20H14NO.C19H12NO.4C5H8O2.4Ir/c1-14-11-15(2)22(16(3)12-14)21-13-19-20(24-21)10-9-18(23-19)17-7-5-4-6-8-17;1-14-7-6-8-15(2)21(14)20-13-18-19(23-20)12-11-17(22-18)16-9-4-3-5-10-16;1-14-7-9-16(10-8-14)20-13-18-19(22-20)12-11-17(21-18)15-5-3-2-4-6-15;1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;4*1-4(6)3-5(2)7;;;;/h4-7,9-13H,1-3H3;3-9,11-13H,1-2H3;2-5,7-13H,1H3;1-7,9-13H;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyQCEBUJORBQVPLY-UHFFFAOYSA-N
XLogP25.84
TPSA253.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.74
LogP ≤ 525.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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)-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 with MolForge

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Related Compounds

2-(2,4-dimethyldibenzothiophen-3-yl)-5-phenylfuro[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628611
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
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
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylfuro[2,3-c]pyridine
CID 153474938
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine
CID 155629104
2-(4-tert-butylphenyl)-5-(3,5-dimethylbenzene-6-id-1-yl)furo[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628491
4-(3,5-dimethylbenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)furo[3,2-d]pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-[4-(2,6-dimethylphenyl)phenyl]thieno[3,2-d]pyrimidine;4-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylfuro[3,2-d]pyrimidine;6-[4-(2,6-dimethylphenyl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
CID 161096116
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-phenyl-5-phenylselenopheno[3,2-b]pyridine
CID 166039650
(Z)-4-hydroxypent-3-en-2-one;iridium;2-methyl-8-[2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridin-5-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155628585
(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-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155628953

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(C)c(-c2cc3nc(-c4[c-]cccc4)ccc3o2)c(C)c1.Cc1ccc(-c2cc3nc(-c4[c-]cccc4)ccc3o2)cc1.Cc1cccc(C)c1-c1cc2nc(-c3[c-]cccc3)ccc2o1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2oc(-c3ccccc3)cc2n1.
What is the InChIKey of 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?
The InChIKey is QCEBUJORBQVPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18NO.C21H16NO.C20H14NO.C19H12NO.4C5H8O2.4Ir/c1-14-11-15(2)22(16(3)12-14)21-13-19-20(24-21)10-9-18(23-19)17-7-5-4-6-8-17;1-14-7-6-8-15(2)21(14)20-13-18-19(23-20)12-11-17(22-18)16-9-4-3-5-10-16;1-14-7-9-16(10-8-14)20-13-18-19(22-20)12-11-17(21-18)15-5-3-2-4-6-15;1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;4*1-4(6)3-5(2)7;;;;/h4-7,9-13H,1-3H3;3-9,11-13H,1-2H3;2-5,7-13H,1H3;1-7,9-13H;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2334.74 g/mol, XLogP of 25.84, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159663454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).