4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine

C151H113FIr5N12O6-10 — CID 161131835

About 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine

4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 161131835) has the molecular formula C151H113FIr5N12O6-10 and a molecular weight of 3174.74 g/mol. Its IUPAC name is 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
• PubChem CID: 161131835
• Molecular Formula: C151H113FIr5N12O6-10
• Molecular Weight: 3174.74 g/mol
• Exact Mass: 3176.73
• IUPAC Name: 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
• SMILES: CC(=O)C=C(C)O.Cc1ccc2c(C)cc(-c3[c-]cccc3)[c-]c2c1.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.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C26H21N2O.C23H14FN2O.C18H14.2C17H11N2O.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;1-13-8-9-18-14(2)11-16(12-17(18)10-13)15-6-4-3-5-7-15;2*1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-10-7-8-12(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;3-6,8-11H,1-2H3;2*2-5,7-10H,1H3;2-5,7-9H,1H3;3*1-6,8-9H;3,6H,1-2H3;;;;;/q2*-1;-2;6*-1;;;;;;/i;;;;;1D3
• InChIKey: HQYOEZMOOOVKOW-BMQPGXMPSA-N
• XLogP: 37.46
• TPSA: 244.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3174.74
LogP ≤ 5	37.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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'}

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?

The IUPAC name of 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (CID 161131835) is 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.

What is the SMILES notation for 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?

The canonical SMILES for 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is CC(=O)C=C(C)O.Cc1ccc2c(C)cc(-c3[c-]cccc3)[c-]c2c1.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.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?

The InChIKey is HQYOEZMOOOVKOW-BMQPGXMPSA-N. The full InChI is InChI=1S/C26H21N2O.C23H14FN2O.C18H14.2C17H11N2O.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;1-13-8-9-18-14(2)11-16(12-17(18)10-13)15-6-4-3-5-7-15;2*1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;1-10-7-8-12(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;3-6,8-11H,1-2H3;2*2-5,7-10H,1H3;2-5,7-9H,1H3;3*1-6,8-9H;3,6H,1-2H3;;;;;/q2*-1;-2;6*-1;;;;;;/i;;;;;1D3;;;;;;;;;.

What are the key properties of 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?

4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 3174.74 g/mol, XLogP of 37.46, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-2-phenyl-1H-naphthalen-1-ide;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;bis(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tris(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 161131835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).