3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine

C149H148Ir4N15O7PtS-5 — CID 157488268

About 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine

3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine (PubChem CID 157488268) has the molecular formula C149H148Ir4N15O7PtS-5 and a molecular weight of 3256.93 g/mol. Its IUPAC name is 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
• PubChem CID: 157488268
• Molecular Formula: C149H148Ir4N15O7PtS-5
• Molecular Weight: 3256.93 g/mol
• Exact Mass: 3257.96
• IUPAC Name: 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine
• SMILES: CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1c[c-]c(-c2ccccn2)cc1.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncnc3ccccc23)cc(C)c1.Cc1ccc2c(n1)oc1c(-c3ccc(-c4nc(C)nc(C)n4)cn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ncnc2sccc12
• InChI: InChI=1S/C28H19N3.C28H27N2.C22H16N5O.C16H13N2.C14H14N.C13H24O2.C12H7N2S.C11H20O2.C5H8O2.4Ir.Pt/c1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-12-7-9-17-16-5-4-6-18(20(16)28-22(17)24-12)19-10-8-15(11-23-19)21-26-13(2)25-14(3)27-21;1-11-7-12(2)9-13(8-11)16-14-5-3-4-6-15(14)17-10-18-16;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;/h1-12,14,16-21H;7-12,14-16H,1-6H3;4-5,7-11H,1-3H3;3-8,10H,1-2H3;3-8,10-11H,1-2H3;9-11,14H,5-8H2,1-4H3;1-4,6-8H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;;;/q-2;4*-1;;-1;;;;;;;+2
• InChIKey: FSSCKIBDCPALPY-UHFFFAOYSA-N
• XLogP: 37.16
• TPSA: 308.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3256.93
LogP ≤ 5	37.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

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 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?

The IUPAC name of 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine (CID 157488268) is 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine.

What is the SMILES notation for 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?

The canonical SMILES for 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine is CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)c1c[c-]c(-c2ccccn2)cc1.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.Cc1[c-]c(-c2ncnc3ccccc23)cc(C)c1.Cc1ccc2c(n1)oc1c(-c3ccc(-c4nc(C)nc(C)n4)cn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ncnc2sccc12.

What is the InChIKey of 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?

The InChIKey is FSSCKIBDCPALPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3.C28H27N2.C22H16N5O.C16H13N2.C14H14N.C13H24O2.C12H7N2S.C11H20O2.C5H8O2.4Ir.Pt/c1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-12-7-9-17-16-5-4-6-18(20(16)28-22(17)24-12)19-10-8-15(11-23-19)21-26-13(2)25-14(3)27-21;1-11-7-12(2)9-13(8-11)16-14-5-3-4-6-15(14)17-10-18-16;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;/h1-12,14,16-21H;7-12,14-16H,1-6H3;4-5,7-11H,1-3H3;3-8,10H,1-2H3;3-8,10-11H,1-2H3;9-11,14H,5-8H2,1-4H3;1-4,6-8H;7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;;;/q-2;4*-1;;-1;;;;;;;+2.

What are the key properties of 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine?

3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine has a molecular weight of 3256.93 g/mol, XLogP of 37.16, 27 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7-diethyl-6-hydroxynon-5-en-4-one;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-(3,5-dimethylbenzene-6-id-1-yl)quinazoline;8-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;4-phenylthieno[2,3-d]pyrimidine;platinum(2+);2-(4-propan-2-ylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 157488268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).