4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine

C151H114FIr5N12O6-9 — CID 157326157

IUPAC4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine
SMILESCC(=O)C=C(C)O.Cc1ccc2c(C)cc(-c3[c-]cccc3)nc2c1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H21N2O.C23H14FN2O.C18H12NO.C17H11N2O.C17H14N.C12H10N.3C11H8N.C5H8O2.5Ir/c1-16(2)18-8-10-19(11-9-18)20-13-14-27-24(15-20)23-6-4-5-21-22-12-7-17(3)28-26(22)29-25(21)23;1-14-5-10-19-18-3-2-4-20(22(18)27-23(19)26-14)21-13-16(11-12-25-21)15-6-8-17(24)9-7-15;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-12-8-9-15-13(2)11-16(18-17(15)10-12)14-6-4-3-5-7-14;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h4-5,7-16H,1-3H3;2-3,5-13H,1H3;2-5,7-11H,1H3;2-5,7-10H,1H3;3-6,8-11H,1-2H3;2-5,7-9H,1H3;3*1-6,8-9H;3,6H,1-2H3;;;;;/q9*-1;;;;;;/i;;1D3;;;1D3;;;;;;;;;
InChIKeyBMDVCJCDCDFFOC-DDIJXTJCSA-N
MW3178.77 g/mol
LogP37.66
Rot. Bonds15

About 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine

4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine (PubChem CID 157326157) has the molecular formula C151H114FIr5N12O6-9 and a molecular weight of 3178.77 g/mol. Its IUPAC name is 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine.

Molecular Properties

Compound Name4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine
PubChem CID157326157
Molecular FormulaC151H114FIr5N12O6-9
Molecular Weight3178.77 g/mol
Exact Mass3180.75
IUPAC Name4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine
SMILESCC(=O)C=C(C)O.Cc1ccc2c(C)cc(-c3[c-]cccc3)nc2c1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H21N2O.C23H14FN2O.C18H12NO.C17H11N2O.C17H14N.C12H10N.3C11H8N.C5H8O2.5Ir/c1-16(2)18-8-10-19(11-9-18)20-13-14-27-24(15-20)23-6-4-5-21-22-12-7-17(3)28-26(22)29-25(21)23;1-14-5-10-19-18-3-2-4-20(22(18)27-23(19)26-14)21-13-16(11-12-25-21)15-6-8-17(24)9-7-15;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-12-8-9-15-13(2)11-16(18-17(15)10-12)14-6-4-3-5-7-14;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h4-5,7-16H,1-3H3;2-3,5-13H,1H3;2-5,7-11H,1H3;2-5,7-10H,1H3;3-6,8-11H,1-2H3;2-5,7-9H,1H3;3*1-6,8-9H;3,6H,1-2H3;;;;;/q9*-1;;;;;;/i;;1D3;;;1D3;;;;;;;;;
InChIKeyBMDVCJCDCDFFOC-DDIJXTJCSA-N
XLogP37.66
TPSA244.54 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003178.77
LogP ≤ 537.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

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 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine?
The IUPAC name of 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine (CID 157326157) is 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine.
What is the SMILES notation for 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine?
The canonical SMILES for 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine is CC(=O)C=C(C)O.Cc1ccc2c(C)cc(-c3[c-]cccc3)nc2c1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C(C)C)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc2c(c1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine?
The InChIKey is BMDVCJCDCDFFOC-DDIJXTJCSA-N. The full InChI is InChI=1S/C26H21N2O.C23H14FN2O.C18H12NO.C17H11N2O.C17H14N.C12H10N.3C11H8N.C5H8O2.5Ir/c1-16(2)18-8-10-19(11-9-18)20-13-14-27-24(15-20)23-6-4-5-21-22-12-7-17(3)28-26(22)29-25(21)23;1-14-5-10-19-18-3-2-4-20(22(18)27-23(19)26-14)21-13-16(11-12-25-21)15-6-8-17(24)9-7-15;1-12-8-9-13-14-5-4-6-15(16-7-2-3-10-19-16)18(14)20-17(13)11-12;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-12-8-9-15-13(2)11-16(18-17(15)10-12)14-6-4-3-5-7-14;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;;/h4-5,7-16H,1-3H3;2-3,5-13H,1H3;2-5,7-11H,1H3;2-5,7-10H,1H3;3-6,8-11H,1-2H3;2-5,7-9H,1H3;3*1-6,8-9H;3,6H,1-2H3;;;;;/q9*-1;;;;;;/i;;1D3;;;1D3;;;;;;;;;.
What are the key properties of 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine?
4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine has a molecular weight of 3178.77 g/mol, XLogP of 37.66, 15 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-hydroxypent-3-en-2-one;pentakis(iridium);2-methyl-8-[4-(4-propan-2-ylphenyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine;2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine is sourced from PubChem (CID 157326157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).