iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine

C33H19IrN5OSe-2 — CID 153492975

IUPACiridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine
SMILES[Ir].[c-]1ccc2c([se]c3ccc(-c4cccnc4)cc32)c1-c1ccccn1.[c-]1ncccc1-c1noc2ccncc12
InChIInChI=1S/C22H13N2Se.C11H6N3O.Ir/c1-2-12-24-20(8-1)18-7-3-6-17-19-13-15(16-5-4-11-23-14-16)9-10-21(19)25-22(17)18;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;/h1-6,8-14H;1-5,7H;/q2*-1;
InChIKeyZUYQLTUZGIISIB-UHFFFAOYSA-N
MW772.73 g/mol
LogP7.06
Rot. Bonds3

About iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine

iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine (PubChem CID 153492975) has the molecular formula C33H19IrN5OSe-2 and a molecular weight of 772.73 g/mol. Its IUPAC name is iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine.

Molecular Properties

Compound Nameiridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine
PubChem CID153492975
Molecular FormulaC33H19IrN5OSe-2
Molecular Weight772.73 g/mol
Exact Mass774.04
IUPAC Nameiridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine
SMILES[Ir].[c-]1ccc2c([se]c3ccc(-c4cccnc4)cc32)c1-c1ccccn1.[c-]1ncccc1-c1noc2ccncc12
InChIInChI=1S/C22H13N2Se.C11H6N3O.Ir/c1-2-12-24-20(8-1)18-7-3-6-17-19-13-15(16-5-4-11-23-14-16)9-10-21(19)25-22(17)18;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;/h1-6,8-14H;1-5,7H;/q2*-1;
InChIKeyZUYQLTUZGIISIB-UHFFFAOYSA-N
XLogP7.06
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.73
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine with MolForge

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Related Compounds

iridium;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide
CID 153492947
4-(4-Methylnaphthalen-1-yl)-3-(2-phenylethenyl)-[1,2]oxazolo[4,5-c]pyridine
CID 91379117
4-Methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridine
CID 144028825
3-Phenyl-[1,2]oxazolo[4,5-c]pyridine
CID 144028826
iridium;1-(3-propan-2-ylbenzene-6-id-1-yl)isoquinoline;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine
CID 153492945
iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine
CID 153492978
2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine
CID 153492987
2-(3-Cyclopentylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;iridium;3-phenyl-1,2-benzoxazole
CID 153493010
Iridium;5-phenyl-3-(3-phenylbenzene-6-id-1-yl)-1,2-benzoxazole;2-phenyl-4-pyridin-3-ylpyridine
CID 153493014
iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine
CID 153493040
Iridium;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole
CID 153493051
2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole
CID 153493068

Frequently Asked Questions

What is the IUPAC name of iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
The IUPAC name of iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine (CID 153492975) is iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine.
What is the SMILES notation for iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
The canonical SMILES for iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine is [Ir].[c-]1ccc2c([se]c3ccc(-c4cccnc4)cc32)c1-c1ccccn1.[c-]1ncccc1-c1noc2ccncc12.
What is the InChIKey of iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
The InChIKey is ZUYQLTUZGIISIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N2Se.C11H6N3O.Ir/c1-2-12-24-20(8-1)18-7-3-6-17-19-13-15(16-5-4-11-23-14-16)9-10-21(19)25-22(17)18;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;/h1-6,8-14H;1-5,7H;/q2*-1;.
What are the key properties of iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine?
iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine has a molecular weight of 772.73 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine is sourced from PubChem (CID 153492975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).