[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)

C100H98Ir3N6O4PtSi-4 — CID 158484907

About [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)

[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+) (PubChem CID 158484907) has the molecular formula C100H98Ir3N6O4PtSi-4 and a molecular weight of 2247.74 g/mol. Its IUPAC name is [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+).

Molecular Properties

• Compound Name: [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)
• PubChem CID: 158484907
• Molecular Formula: C100H98Ir3N6O4PtSi-4
• Molecular Weight: 2247.74 g/mol
• Exact Mass: 2248.60
• IUPAC Name: [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)
• SMILES: C.C.C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ccc3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1cc[c-]c(-c2ncc3ccccc3c2C)c1.[Ir].[Ir].[Ir].[Pt+2].[c-]1c(/C=N/c2ccccc2-c2[c-]cccc2)cccc1-c1ccccn1.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C24H16N2.C20H22NSi.C17H14N.C15H10N.C11H8N.2C5H8O2.3CH4.3Ir.Pt/c1-2-10-20(11-3-1)22-13-4-5-15-24(22)26-18-19-9-8-12-21(17-19)23-14-6-7-16-25-23;1-14-10-15(2)12-17(11-14)20-8-6-16-13-18(22(3,4)5)7-9-19(16)21-20;1-12-6-5-8-14(10-12)17-13(2)16-9-4-3-7-15(16)11-18-17;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;;/h1-10,12-16,18H;6-11,13H,1-5H3;3-7,9-11H,1-2H3;1-6,8-11H;1-6,8-9H;2*3,6H,1-2H3;3*1H4;;;;/q-2;4*-1;;;;;;;;;+2/b26-18+
• InChIKey: FDRKZVFKQBQTOM-YLFLBZNDSA-N
• XLogP: 25.17
• TPSA: 151.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2247.74
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)?

The IUPAC name of [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+) (CID 158484907) is [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+).

What is the SMILES notation for [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)?

The canonical SMILES for [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+) is C.C.C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2ccc3cc([Si](C)(C)C)ccc3n2)cc(C)c1.Cc1cc[c-]c(-c2ncc3ccccc3c2C)c1.[Ir].[Ir].[Ir].[Pt+2].[c-]1c(/C=N/c2ccccc2-c2[c-]cccc2)cccc1-c1ccccn1.[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)?

The InChIKey is FDRKZVFKQBQTOM-YLFLBZNDSA-N. The full InChI is InChI=1S/C24H16N2.C20H22NSi.C17H14N.C15H10N.C11H8N.2C5H8O2.3CH4.3Ir.Pt/c1-2-10-20(11-3-1)22-13-4-5-15-24(22)26-18-19-9-8-12-21(17-19)23-14-6-7-16-25-23;1-14-10-15(2)12-17(11-14)20-8-6-16-13-18(22(3,4)5)7-9-19(16)21-20;1-12-6-5-8-14(10-12)17-13(2)16-9-4-3-7-15(16)11-18-17;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-4(6)3-5(2)7;;;;;;;/h1-10,12-16,18H;6-11,13H,1-5H3;3-7,9-11H,1-2H3;1-6,8-11H;1-6,8-9H;2*3,6H,1-2H3;3*1H4;;;;/q-2;4*-1;;;;;;;;;+2/b26-18+;;;;;;;;;;;;;.

What are the key properties of [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+)?

[2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+) has a molecular weight of 2247.74 g/mol, XLogP of 25.17, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;bis(4-hydroxypent-3-en-2-one);tris(iridium);methane;4-methyl-3-(3-methylbenzene-6-id-1-yl)isoquinoline;3-phenylisoquinoline;N-(2-phenylphenyl)-1-(3-pyridin-2-ylbenzene-2-id-1-yl)methanimine;2-phenylpyridine;platinum(2+) is sourced from PubChem (CID 158484907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).