iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one

C25H16IrN2O2-2 — CID 59302089

IUPACiridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one
SMILESO=c1oc2ccccc2[c-]c1-c1ccccn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H8NO2.C11H8N.Ir/c16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H;1-6,8-9H;/q2*-1;
InChIKeyYMJDXWFSNXKABT-UHFFFAOYSA-N
MW568.63 g/mol
LogP5.20
Rot. Bonds2

About iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one

iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one (PubChem CID 59302089) has the molecular formula C25H16IrN2O2-2 and a molecular weight of 568.63 g/mol. Its IUPAC name is iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one
PubChem CID59302089
Molecular FormulaC25H16IrN2O2-2
Molecular Weight568.63 g/mol
Exact Mass569.09
IUPAC Nameiridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one
SMILESO=c1oc2ccccc2[c-]c1-c1ccccn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H8NO2.C11H8N.Ir/c16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H;1-6,8-9H;/q2*-1;
InChIKeyYMJDXWFSNXKABT-UHFFFAOYSA-N
XLogP5.20
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
1,3-Diphenylchromeno[4,3-b]pyrrol-4-one
CID 14788079
3-(3-Pyridinyl)-2H-1-benzopyran-2-one
CID 13278
12-Pyridin-2-yl-15-oxa-2,5-diazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3,5,7,9,11,16,18,20-nonaen-14-one
CID 156016733
4-Indol-1-ylchromen-2-one
CID 168282470
3-(Pyridin-2-yl)-2H-chromen-2-one
CID 11064051
3-Indolizin-2-ylchromen-2-one
CID 397574
7-(Diethylamino)-3-pyridin-2-ylchromen-2-one
CID 2351567
(2-Pyridin-2-ylphenyl) 4-fluorobenzoate
CID 86072265
(5-Fluoro-2-pyridin-2-ylphenyl) benzoate
CID 101580753
(4-Fluoro-2-pyridin-2-ylphenyl) benzoate
CID 135066851
(2-Pyridin-2-ylphenyl) 2,6-difluorobenzoate
CID 135069266

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one?
The IUPAC name of iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one (CID 59302089) is iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one.
What is the SMILES notation for iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one?
The canonical SMILES for iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one is O=c1oc2ccccc2[c-]c1-c1ccccn1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one?
The InChIKey is YMJDXWFSNXKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8NO2.C11H8N.Ir/c16-14-11(12-6-3-4-8-15-12)9-10-5-1-2-7-13(10)17-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-8H;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one?
iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one has a molecular weight of 568.63 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;3-pyridin-2-yl-4H-chromen-4-id-2-one is sourced from PubChem (CID 59302089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).