2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine

C119H124Ir4N5O6S-5 — CID 157060605

IUPAC2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.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.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H26N.C22H24N.C19H16N.C18H12NS.C12H10N.C11H20O2.2C5H8O2.4Ir/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;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;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;3-6,8-13H,1-2H3;2-5,7-11H,1H3;2-5,7-9H,1H3;7-9,12H,5-6H2,1-4H3;2*3,6H,1-2H3;;;;/q5*-1;;;;;;;
InChIKeySBTBBVNRQVMCGE-UHFFFAOYSA-N
MW2521.26 g/mol
LogP31.08
Rot. Bonds18

About 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine

2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine (PubChem CID 157060605) has the molecular formula C119H124Ir4N5O6S-5 and a molecular weight of 2521.26 g/mol. Its IUPAC name is 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine.

Molecular Properties

Compound Name2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine
PubChem CID157060605
Molecular FormulaC119H124Ir4N5O6S-5
Molecular Weight2521.26 g/mol
Exact Mass2522.78
IUPAC Name2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.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.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H26N.C22H24N.C19H16N.C18H12NS.C12H10N.C11H20O2.2C5H8O2.4Ir/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;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;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;3-6,8-13H,1-2H3;2-5,7-11H,1H3;2-5,7-9H,1H3;7-9,12H,5-6H2,1-4H3;2*3,6H,1-2H3;;;;/q5*-1;;;;;;;
InChIKeySBTBBVNRQVMCGE-UHFFFAOYSA-N
XLogP31.08
TPSA176.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.26
LogP ≤ 531.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine?
The IUPAC name of 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine (CID 157060605) is 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine.
What is the SMILES notation for 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine?
The canonical SMILES for 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.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.Cc1cc(C)cc(-c2ccnc(-c3[c-]cccc3)c2)c1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3sc4ccccc4c3c2)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine?
The InChIKey is SBTBBVNRQVMCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N.C22H24N.C19H16N.C18H12NS.C12H10N.C11H20O2.2C5H8O2.4Ir/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;1-14-10-15(2)12-18(11-14)17-8-9-20-19(13-17)16-6-4-3-5-7-16;1-12-8-9-19-16(10-12)13-6-7-18-15(11-13)14-4-2-3-5-17(14)20-18;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;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;3-6,8-13H,1-2H3;2-5,7-11H,1H3;2-5,7-9H,1H3;7-9,12H,5-6H2,1-4H3;2*3,6H,1-2H3;;;;/q5*-1;;;;;;;.
What are the key properties of 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine?
2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine has a molecular weight of 2521.26 g/mol, XLogP of 31.08, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;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;4-(3,5-dimethylphenyl)-2-phenylpyridine;6-hydroxy-2,8-dimethylnon-5-en-4-one;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylpyridine is sourced from PubChem (CID 157060605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).