(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane

C25H26IrNO2SSi- — CID 166570405

IUPAC(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane
SMILESCC(=O)/C=C(/C)O.C[Si](C)(C)c1c[c-]c(-c2nc3ccccc3c3ccsc23)cc1.[Ir]
InChIInChI=1S/C20H18NSSi.C5H8O2.Ir/c1-23(2,3)15-10-8-14(9-11-15)19-20-17(12-13-22-20)16-6-4-5-7-18(16)21-19;1-4(6)3-5(2)7;/h4-8,10-13H,1-3H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyCWXFKGYDUZNQBR-LWFKIUJUSA-N
MW624.86 g/mol
LogP6.50
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane

(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane (PubChem CID 166570405) has the molecular formula C25H26IrNO2SSi- and a molecular weight of 624.86 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane
PubChem CID166570405
Molecular FormulaC25H26IrNO2SSi-
Molecular Weight624.86 g/mol
Exact Mass625.11
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane
SMILESCC(=O)/C=C(/C)O.C[Si](C)(C)c1c[c-]c(-c2nc3ccccc3c3ccsc23)cc1.[Ir]
InChIInChI=1S/C20H18NSSi.C5H8O2.Ir/c1-23(2,3)15-10-8-14(9-11-15)19-20-17(12-13-22-20)16-6-4-5-7-18(16)21-19;1-4(6)3-5(2)7;/h4-8,10-13H,1-3H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyCWXFKGYDUZNQBR-LWFKIUJUSA-N
XLogP6.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.86
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-[4-(3-methylquinolin-2-yl)benzene-5-id-1-yl]silane
CID 59022052
(Z)-4-hydroxypent-3-en-2-one;iridium;6-methyl-4-phenylthieno[3,2-c]pyridine
CID 155785071
4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)thieno[2,3-c]quinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 166570232
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;4-hydroxypent-3-en-2-one;iridium
CID 161124870
4-(1,3-benzothiazol-2-yl)-N,N-diphenylbenzene-5-id-1-amine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59428677
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
4-hydroxypent-3-en-2-one;iridium;3-(4-phenylbenzene-6-id-1-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 152910869
bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-phenyl-1,3-benzoxazole;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160844460
bis(1-(4-ethylbenzene-6-id-1-yl)isoquinoline);bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(2-phenylpyridine)
CID 159880437
4-hydroxypent-3-en-2-one;iridium;pentafluoro-(4-pyridin-2-ylbenzene-5-id-1-yl)-λ6-sulfane
CID 152840159
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162324
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane (CID 166570405) is (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane is CC(=O)/C=C(/C)O.C[Si](C)(C)c1c[c-]c(-c2nc3ccccc3c3ccsc23)cc1.[Ir].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane?
The InChIKey is CWXFKGYDUZNQBR-LWFKIUJUSA-N. The full InChI is InChI=1S/C20H18NSSi.C5H8O2.Ir/c1-23(2,3)15-10-8-14(9-11-15)19-20-17(12-13-22-20)16-6-4-5-7-18(16)21-19;1-4(6)3-5(2)7;/h4-8,10-13H,1-3H3;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane?
(Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane has a molecular weight of 624.86 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;iridium;trimethyl-(4-thieno[2,3-c]quinolin-4-ylbenzene-5-id-1-yl)silane is sourced from PubChem (CID 166570405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).