5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)

C173H144FIr5N12O7-9 — CID 157356332

About 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine) (PubChem CID 157356332) has the molecular formula C173H144FIr5N12O7-9 and a molecular weight of 3483.21 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine).

Molecular Properties

• Compound Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)
• PubChem CID: 157356332
• Molecular Formula: C173H144FIr5N12O7-9
• Molecular Weight: 3483.21 g/mol
• Exact Mass: 3484.95
• IUPAC Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)
• SMILES: C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1cc[c-]c(-c2cc3c(ccc4ccccc43)cn2)c1.Cc1ccc2c(C)cc(-c3[c-]cccc3)nc2c1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C31H27N2O.C23H14FN2O.C21H20N.C20H14N.C17H11N2O.C17H14N.3C11H8N.2C5H8O2.CH4.5Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;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;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19;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;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;/h5-14,16-20H,1-4H3;2-3,5-13H,1H3;4-10,12-15H,1-3H3;2-6,8-13H,1H3;2-5,7-10H,1H3;3-6,8-11H,1-2H3;3*1-6,8-9H;2*3,6H,1-2H3;1H4;;;;;/q9*-1
• InChIKey: RSASOHPHXHMWKB-UHFFFAOYSA-N
• XLogP: 44.09
• TPSA: 260.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3483.21
LogP ≤ 5	44.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)?

The IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine) (CID 157356332) is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine).

What is the SMILES notation for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)?

The canonical SMILES for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine) is C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1cc[c-]c(-c2cc3c(ccc4ccccc43)cn2)c1.Cc1ccc2c(C)cc(-c3[c-]cccc3)nc2c1.Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(F)cc4)ccn3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)?

The InChIKey is RSASOHPHXHMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N2O.C23H14FN2O.C21H20N.C20H14N.C17H11N2O.C17H14N.3C11H8N.2C5H8O2.CH4.5Ir/c1-19(2)21-12-9-13-22(20(3)4)29(21)33-27-17-7-6-16-26(27)32-31(33)25-15-10-14-24-23-11-5-8-18-28(23)34-30(24)25;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;1-21(2,3)19-12-13-20(22-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14-5-4-7-16(11-14)20-12-19-17(13-21-20)10-9-15-6-2-3-8-18(15)19;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;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;/h5-14,16-20H,1-4H3;2-3,5-13H,1H3;4-10,12-15H,1-3H3;2-6,8-13H,1H3;2-5,7-10H,1H3;3-6,8-11H,1-2H3;3*1-6,8-9H;2*3,6H,1-2H3;1H4;;;;;/q9*-1;;;;;;;;.

What are the key properties of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine)?

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine) has a molecular weight of 3483.21 g/mol, XLogP of 44.09, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;4,7-dimethyl-2-phenylquinoline;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;2-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-phenylpyridine) is sourced from PubChem (CID 157356332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).