4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline

C24H20IrNO2- — CID 169431906

IUPAC4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline
SMILESCC(=O)C=C(C)O.[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1
InChIInChI=1S/C19H12N.C5H8O2.Ir/c1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-4(6)3-5(2)7;/h1-9,11-13H;3,6H,1-2H3;/q-1;;
InChIKeyCSKXNWUBECDFME-UHFFFAOYSA-N
MW546.65 g/mol
LogP5.89
Rot. Bonds2

About 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline

4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline (PubChem CID 169431906) has the molecular formula C24H20IrNO2- and a molecular weight of 546.65 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline
PubChem CID169431906
Molecular FormulaC24H20IrNO2-
Molecular Weight546.65 g/mol
Exact Mass547.11
IUPAC Name4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline
SMILESCC(=O)C=C(C)O.[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1
InChIInChI=1S/C19H12N.C5H8O2.Ir/c1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-4(6)3-5(2)7;/h1-9,11-13H;3,6H,1-2H3;/q-1;;
InChIKeyCSKXNWUBECDFME-UHFFFAOYSA-N
XLogP5.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline 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;3-(2H-naphthalen-2-id-1-yl)phenanthro[9,10-c]pyridine
CID 59575301
(Z)-4-hydroxypent-3-en-2-one;iridium;4-methyl-6-quinolin-2-yl-7H-[1]benzothiolo[3,2-c]pyridin-7-ide
CID 176651640
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 58162324
2-(3,4-dimethylbenzene-6-id-1-yl)quinoline;(Z)-4-hydroxypent-3-en-2-one;lawrencium
CID 168801351
2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)quinoline;4-hydroxypent-3-en-2-one;iridium
CID 157230026
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-[2-(2-methoxyethoxy)ethyl]-3-quinolin-2-yl-2H-carbazol-2-ide)
CID 139253815
2-(2,3-dimethylbenzene-6-id-1-yl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 155627662
6-tert-butyl-2-(2H-naphthalen-2-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;iridium;methane
CID 159063564
6-tert-butyl-2-[6-(6-tert-butylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline;bis((Z)-4-hydroxypent-3-en-2-one);platinum
CID 171419641
(Z)-4-hydroxypent-3-en-2-one;iridium;2,3,7-trimethyl-6-(2H-naphthalen-2-id-1-yl)indolo[2,3-c]quinoline
CID 167354918
2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)quinoline;iridium;[(Z)-4-oxopent-2-en-2-yl]-propan-2-ylazanide
CID 168815344
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline?
The IUPAC name of 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline (CID 169431906) is 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline?
The canonical SMILES for 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline is CC(=O)C=C(C)O.[Ir].[c-]1ccc2ccccc2c1-c1ccc2ccccc2n1.
What is the InChIKey of 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline?
The InChIKey is CSKXNWUBECDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N.C5H8O2.Ir/c1-3-9-16-14(6-1)8-5-10-17(16)19-13-12-15-7-2-4-11-18(15)20-19;1-4(6)3-5(2)7;/h1-9,11-13H;3,6H,1-2H3;/q-1;;.
What are the key properties of 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline?
4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline has a molecular weight of 546.65 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline is sourced from PubChem (CID 169431906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).