tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane

C84H100Ir4N4O8Si4-4 — CID 158064123

About tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane

tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane (PubChem CID 158064123) has the molecular formula C84H100Ir4N4O8Si4-4 and a molecular weight of 2174.96 g/mol. Its IUPAC name is tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane.

Molecular Properties

• Compound Name: tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane
• PubChem CID: 158064123
• Molecular Formula: C84H100Ir4N4O8Si4-4
• Molecular Weight: 2174.96 g/mol
• Exact Mass: 2176.52
• IUPAC Name: tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[SiH2]c1cc[c-]c(-c2cc(C)ccn2)c1.C[Si](C)(C)c1c[c-]c(-c2nccc3ccccc23)cc1.C[Si](C)(C)c1c[c-]c(-c2nccc3ccccc23)cc1.Cc1ccc(-c2[c-]cc([Si](C)(C)C)cc2)nc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C18H18NSi.C15H18NSi.C13H14NSi.4C5H8O2.4Ir/c2*1-20(2,3)16-10-8-15(9-11-16)18-17-7-5-4-6-14(17)12-13-19-18;1-12-5-10-15(16-11-12)13-6-8-14(9-7-13)17(2,3)4;1-10-6-7-14-13(8-10)11-4-3-5-12(9-11)15-2;4*1-4(6)3-5(2)7;;;;/h2*4-8,10-13H,1-3H3;5-6,8-11H,1-4H3;3,5-9H,15H2,1-2H3;4*3,6H,1-2H3;;;;/q4*-1
• InChIKey: IYARJGGBOBEEDP-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 200.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.96
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane?

The IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane (CID 158064123) is tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane.

What is the SMILES notation for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane?

The canonical SMILES for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[SiH2]c1cc[c-]c(-c2cc(C)ccn2)c1.C[Si](C)(C)c1c[c-]c(-c2nccc3ccccc23)cc1.C[Si](C)(C)c1c[c-]c(-c2nccc3ccccc23)cc1.Cc1ccc(-c2[c-]cc([Si](C)(C)C)cc2)nc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane?

The InChIKey is IYARJGGBOBEEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18NSi.C15H18NSi.C13H14NSi.4C5H8O2.4Ir/c2*1-20(2,3)16-10-8-15(9-11-16)18-17-7-5-4-6-14(17)12-13-19-18;1-12-5-10-15(16-11-12)13-6-8-14(9-7-13)17(2,3)4;1-10-6-7-14-13(8-10)11-4-3-5-12(9-11)15-2;4*1-4(6)3-5(2)7;;;;/h2*4-8,10-13H,1-3H3;5-6,8-11H,1-4H3;3,5-9H,15H2,1-2H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.

What are the key properties of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane?

tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane has a molecular weight of 2174.96 g/mol, XLogP of 17.74, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis((4-isoquinolin-1-ylbenzene-5-id-1-yl)-trimethylsilane);methyl-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]silane;trimethyl-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]silane is sourced from PubChem (CID 158064123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).