(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine

C24H20IrNO2Se- — CID 166039650

IUPAC(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine
SMILESCC(=O)/C=C(/C)O.[Ir].[c-]1ccccc1-c1ccc2[se]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H12NSe.C5H8O2.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;1-4(6)3-5(2)7;/h1-7,9-13H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyWCIZVZWMEGDJCK-LWFKIUJUSA-N
MW625.61 g/mol
LogP5.46
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine

(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine (PubChem CID 166039650) has the molecular formula C24H20IrNO2Se- and a molecular weight of 625.61 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine
PubChem CID166039650
Molecular FormulaC24H20IrNO2Se-
Molecular Weight625.61 g/mol
Exact Mass627.03
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine
SMILESCC(=O)/C=C(/C)O.[Ir].[c-]1ccccc1-c1ccc2[se]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H12NSe.C5H8O2.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;1-4(6)3-5(2)7;/h1-7,9-13H;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyWCIZVZWMEGDJCK-LWFKIUJUSA-N
XLogP5.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.61
LogP ≤ 55.46
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylthieno[3,2-b]pyridine
CID 155629104
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CID 154625724
(Z)-4-hydroxypent-3-en-2-one;iridium;3-methyl-2-phenyl-6-phenylthieno[2,3-b]pyridine
CID 155629226
5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)selenopheno[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628530
4-hydroxypent-3-en-2-one;phenylbenzene;platinum(2+)
CID 158441264
2-(2,6-dimethylphenyl)-5-phenylfuro[3,2-b]pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(4-methylphenyl)-5-phenylfuro[3,2-b]pyridine;2-phenyl-5-phenylfuro[3,2-b]pyridine;5-phenyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridine
CID 159663454
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylfuro[2,3-c]pyridine
CID 153474938
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-(3-phenylbenzene-6-id-1-yl)thieno[3,2-b]pyridine
CID 155628834
(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
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
2-(3,5-ditert-butylphenyl)-6-phenylfuro[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628597
10H-benzo[h]quinolin-10-ide;bis(4-hydroxypent-3-en-2-one);bis(iridium);7-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline
CID 160647236

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine (CID 166039650) is (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine is CC(=O)/C=C(/C)O.[Ir].[c-]1ccccc1-c1ccc2[se]c(-c3ccccc3)cc2n1.
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine?
The InChIKey is WCIZVZWMEGDJCK-LWFKIUJUSA-N. The full InChI is InChI=1S/C19H12NSe.C5H8O2.Ir/c1-3-7-14(8-4-1)16-11-12-18-17(20-16)13-19(21-18)15-9-5-2-6-10-15;1-4(6)3-5(2)7;/h1-7,9-13H;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine?
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine has a molecular weight of 625.61 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-phenylselenopheno[3,2-b]pyridine is sourced from PubChem (CID 166039650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).