iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine

C23H17IrN3O-2 — CID 58106780

IUPACiridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine
SMILESCC(c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cncc2)n1.[Ir]
InChIInChI=1S/C23H17N3O.Ir/c1-17(20-9-5-11-22(25-20)18-13-15-24-16-14-18)21-10-6-12-23(26-21)27-19-7-3-2-4-8-19;/h2-7,9-13,15-17H,1H3;/q-2;
InChIKeyGPXGGWMHUCKMJM-UHFFFAOYSA-N
MW543.63 g/mol
LogP5.08
Rot. Bonds5

About iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine

iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine (PubChem CID 58106780) has the molecular formula C23H17IrN3O-2 and a molecular weight of 543.63 g/mol. Its IUPAC name is iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine.

Molecular Properties

Compound Nameiridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine
PubChem CID58106780
Molecular FormulaC23H17IrN3O-2
Molecular Weight543.63 g/mol
Exact Mass544.10
IUPAC Nameiridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine
SMILESCC(c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cncc2)n1.[Ir]
InChIInChI=1S/C23H17N3O.Ir/c1-17(20-9-5-11-22(25-20)18-13-15-24-16-14-18)21-10-6-12-23(26-21)27-19-7-3-2-4-8-19;/h2-7,9-13,15-17H,1H3;/q-2;
InChIKeyGPXGGWMHUCKMJM-UHFFFAOYSA-N
XLogP5.08
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.63
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine 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

1'-(2-Methylpropyl)-2-pyridin-4-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 44416309
1-Azabicyclo[2.2.2]octane, 3-(2-quinolinyloxy)-
CID 10400087
1-Propanamine, N,N-dimethyl-3-(2-methyl-5H-(1)benzopyrano(2,3-b)pyridin-5-ylidene)-
CID 6446109
3-(6-Methoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane
CID 18966424
CID 58620922
CID 58620922
3-[1-[6-(4-Fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane
CID 90046780
2-[(3-Fluoro-4-pyridinyl)methoxy]-6-(1-methylpiperidin-4-yl)pyridine
CID 169771606
3-[2-[6-(4-Fluorophenoxy)-2-pyridinyl]cyclopropyl]-1-azabicyclo[2.2.2]octane
CID 173535239
6,6'-Di-t-butoxy terpyridine
CID 155819088
6-(6-methyl-3-pyridinyl)-2-(1-propan-2-ylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine
CID 11501507
3-(6-Ethoxy-2-pyridinyl)-1-azabicyclo[2.2.2]oct-2-ene
CID 18966420
3-(6-Ethoxy-2-pyridinyl)-1-azabicyclo[2.2.2]octane
CID 18966438

Frequently Asked Questions

What is the IUPAC name of iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine?
The IUPAC name of iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine (CID 58106780) is iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine.
What is the SMILES notation for iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine?
The canonical SMILES for iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine is CC(c1cccc(Oc2[c-]cccc2)n1)c1cccc(-c2[c-]cncc2)n1.[Ir].
What is the InChIKey of iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine?
The InChIKey is GPXGGWMHUCKMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O.Ir/c1-17(20-9-5-11-22(25-20)18-13-15-24-16-14-18)21-10-6-12-23(26-21)27-19-7-3-2-4-8-19;/h2-7,9-13,15-17H,1H3;/q-2;.
What are the key properties of iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine?
iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine has a molecular weight of 543.63 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine is sourced from PubChem (CID 58106780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).