5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)

C249H254Ir8N12O9-12 — CID 158100102

About 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine) (PubChem CID 158100102) has the molecular formula C249H254Ir8N12O9-12 and a molecular weight of 5096.58 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine).

Molecular Properties

• Compound Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)
• PubChem CID: 158100102
• Molecular Formula: C249H254Ir8N12O9-12
• Molecular Weight: 5096.58 g/mol
• Exact Mass: 5099.69
• IUPAC Name: 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2cc(CC(C)C)c3cc(-c4ccccc4)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc(C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1
• InChI: InChI=1S/C27H26N.C22H24N.C21H22N.C21H20N.C19H16N.2C18H14N.C17H10NO.2C15H16N.2C12H10N.2C11H20O2.2C5H8O2.8Ir/c1-18(2)12-23-17-27(24-14-19(3)13-20(4)15-24)28-26-11-10-22(16-25(23)26)21-8-6-5-7-9-21;1-14(2)8-18-13-22(19-10-16(4)9-17(5)11-19)23-21-7-6-15(3)12-20(18)21;1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;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;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;2*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-4(6)3-5(2)7;;;;;;;;/h5-11,13-14,16-18H,12H2,1-4H3;6-7,9-10,12-14H,8H2,1-5H3;5-9,11-12,14H,10H2,1-4H3;4-10,12-15H,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;2-5,7-13H,1H3;1-7,9-11H;2*4-7,9-11H,1-3H3;2*2-5,7-9H,1H3;2*7-9,12H,5-6H2,1-4H3;2*3,6H,1-2H3;;;;;;;;/q12*-1
• InChIKey: WHIWFYKAIVILBX-UHFFFAOYSA-N
• XLogP: 64.01
• TPSA: 317.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 35
• Heavy Atoms: 278
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5096.58
LogP ≤ 5	64.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)?

The IUPAC name of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine) (CID 158100102) is 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine).

What is the SMILES notation for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)?

The canonical SMILES for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2cc(CC(C)C)c3cc(-c4ccccc4)ccc3n2)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc(C)ccc3n2)cc(C)c1.Cc1[c-]c(-c2ccc3c(CC(C)C)cccc3n2)cc(C)c1.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccccc3c2cc1-c1ccccn1.

What is the InChIKey of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)?

The InChIKey is WHIWFYKAIVILBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N.C22H24N.C21H22N.C21H20N.C19H16N.2C18H14N.C17H10NO.2C15H16N.2C12H10N.2C11H20O2.2C5H8O2.8Ir/c1-18(2)12-23-17-27(24-14-19(3)13-20(4)15-24)28-26-11-10-22(16-25(23)26)21-8-6-5-7-9-21;1-14(2)8-18-13-22(19-10-16(4)9-17(5)11-19)23-21-7-6-15(3)12-20(18)21;1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18;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;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-14-10-11-18(19-13-14)17-9-5-8-16(12-17)15-6-3-2-4-7-15;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;2*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;2*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;2*1-8(2)5-10(12)7-11(13)6-9(3)4;2*1-4(6)3-5(2)7;;;;;;;;/h5-11,13-14,16-18H,12H2,1-4H3;6-7,9-10,12-14H,8H2,1-5H3;5-9,11-12,14H,10H2,1-4H3;4-10,12-15H,1-3H3;3-6,8-13H,1-2H3;2-8,10-13H,1H3;2-5,7-13H,1H3;1-7,9-11H;2*4-7,9-11H,1-3H3;2*2-5,7-9H,1H3;2*7-9,12H,5-6H2,1-4H3;2*3,6H,1-2H3;;;;;;;;/q12*-1;;;;;;;;;;;;.

What are the key properties of 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine)?

5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine) has a molecular weight of 5096.58 g/mol, XLogP of 64.01, 35 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-6-methyl-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;4-(3,5-dimethylphenyl)-2-phenylpyridine;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);bis(4-hydroxypent-3-en-2-one);octakis(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;bis(5-methyl-2-phenylpyridine) is sourced from PubChem (CID 158100102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).