4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C80H68Ir3N4O2S2SeSi-4 — CID 160973897

IUPAC4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(=O)C=C(C)O.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2cc(-c3ccccc3)[se]c2cn1.[c-]1ccccc1-c1cc2sc(-c3ccccc3)cc2cn1.[c-]1ccccc1-c1cc2sc(-c3ccccc3)cc2cn1
InChIInChI=1S/2C19H12NS.C19H12NSe.C18H24NSi.C5H8O2.3Ir/c2*1-3-7-14(8-4-1)17-12-19-16(13-20-17)11-18(21-19)15-9-5-2-6-10-15;1-3-7-14(8-4-1)17-11-16-12-18(21-19(16)13-20-17)15-9-5-2-6-10-15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-4(6)3-5(2)7;;;/h3*1-7,9-13H;6-9,12-14H,11H2,1-5H3;3,6H,1-2H3;;;/q4*-1;;;;
InChIKeyQTFCRNGXEJEQCE-UHFFFAOYSA-N
MW1865.28 g/mol
LogP20.61
Rot. Bonds11

About 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 160973897) has the molecular formula C80H68Ir3N4O2S2SeSi-4 and a molecular weight of 1865.28 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
PubChem CID160973897
Molecular FormulaC80H68Ir3N4O2S2SeSi-4
Molecular Weight1865.28 g/mol
Exact Mass1867.26
IUPAC Name4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(=O)C=C(C)O.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2cc(-c3ccccc3)[se]c2cn1.[c-]1ccccc1-c1cc2sc(-c3ccccc3)cc2cn1.[c-]1ccccc1-c1cc2sc(-c3ccccc3)cc2cn1
InChIInChI=1S/2C19H12NS.C19H12NSe.C18H24NSi.C5H8O2.3Ir/c2*1-3-7-14(8-4-1)17-12-19-16(13-20-17)11-18(21-19)15-9-5-2-6-10-15;1-3-7-14(8-4-1)17-11-16-12-18(21-19(16)13-20-17)15-9-5-2-6-10-15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-4(6)3-5(2)7;;;/h3*1-7,9-13H;6-9,12-14H,11H2,1-5H3;3,6H,1-2H3;;;/q4*-1;;;;
InChIKeyQTFCRNGXEJEQCE-UHFFFAOYSA-N
XLogP20.61
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001865.28
LogP ≤ 520.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane with MolForge

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Related Compounds

bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162235422
2-(3,5-ditert-butylphenyl)-6-phenylthieno[3,2-c]pyridine;2-[2,6-di(propan-2-yl)phenyl]-6-phenylthieno[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);6-phenyl-2-(4-propan-2-ylphenyl)thieno[3,2-c]pyridine
CID 158017498
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626403
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine
CID 155629104
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine
CID 166039650
2-(4-tert-butyl-2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626361
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylfuro[2,3-c]pyridine
CID 153474938
iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 158744529
6-(3,5-dimethylbenzene-6-id-1-yl)-2-(4-methylphenyl)thieno[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626669
8-tert-butyl-2-phenylbenzo[f]isoquinoline;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 167332148
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane
CID 166018685
ethanol;iridium;iridium(3+);methanol;2-phenylpyridine;2-phenylpyridine;trifluoromethanesulfonic acid;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 160553408

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 160973897) is 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(=O)C=C(C)O.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2cc(-c3ccccc3)[se]c2cn1.[c-]1ccccc1-c1cc2sc(-c3ccccc3)cc2cn1.[c-]1ccccc1-c1cc2sc(-c3ccccc3)cc2cn1.
What is the InChIKey of 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is QTFCRNGXEJEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12NS.C19H12NSe.C18H24NSi.C5H8O2.3Ir/c2*1-3-7-14(8-4-1)17-12-19-16(13-20-17)11-18(21-19)15-9-5-2-6-10-15;1-3-7-14(8-4-1)17-11-16-12-18(21-19(16)13-20-17)15-9-5-2-6-10-15;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-4(6)3-5(2)7;;;/h3*1-7,9-13H;6-9,12-14H,11H2,1-5H3;3,6H,1-2H3;;;/q4*-1;;;;.
What are the key properties of 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?
4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1865.28 g/mol, XLogP of 20.61, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;tris(iridium);2-phenyl-5-phenylselenopheno[2,3-c]pyridine;bis(2-phenyl-6-phenylthieno[3,2-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 160973897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).