iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine

C36H24IrN4O-2 — CID 153493040

IUPACiridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ccccc1-c1noc2ccncc12
InChIInChI=1S/C24H17N2.C12H7N2O.Ir/c1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)15-14-12;/h2-10,12-16H,1H3;1-4,6-8H;/q2*-1;
InChIKeyISDXWCSLFXLDMZ-UHFFFAOYSA-N
MW720.83 g/mol
LogP8.55
Rot. Bonds3

About iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine

iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 153493040) has the molecular formula C36H24IrN4O-2 and a molecular weight of 720.83 g/mol. Its IUPAC name is iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameiridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID153493040
Molecular FormulaC36H24IrN4O-2
Molecular Weight720.83 g/mol
Exact Mass721.16
IUPAC Nameiridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ccccc1-c1noc2ccncc12
InChIInChI=1S/C24H17N2.C12H7N2O.Ir/c1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)15-14-12;/h2-10,12-16H,1H3;1-4,6-8H;/q2*-1;
InChIKeyISDXWCSLFXLDMZ-UHFFFAOYSA-N
XLogP8.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.83
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-YL)pyrrolidin-1-YL]methyl}-1H-indole
CID 50808983
3-{[2-(3,5-Dimethyl-1,2-oxazol-4-YL)pyrrolidin-1-YL]methyl}-1-(propan-2-YL)-1H-indole
CID 50809424
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
iridium;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide
CID 153493050
N-[(9-Ethyl-9H-carbazol-3-yl)methylidene]-3,4-dimethylisoxazol-5-amine
CID 71677102
3-[1-[3-(1-Methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 20523262
3-methyl-1-(5-methyl-isoxazol-3-ylmethyl)-2-pyridin-3-yl-1H-indole
CID 44554137
4-[(E)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole
CID 71007903
3,5-Dimethyl-4-[(5-methylindol-1-yl)methyl]-1,2-oxazole
CID 71103366
4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-3,5-dimethyl-1,2-oxazole
CID 77979889
1-(3,5-Dimethylbenzene-6-id-1-yl)isoquinoline;iridium;3-[3-(9-phenylcarbazol-3-yl)benzene-6-id-1-yl]-1,2-benzoxazole
CID 153492935
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

Frequently Asked Questions

What is the IUPAC name of iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine (CID 153493040) is iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine is Cn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ccccc1-c1noc2ccncc12.
What is the InChIKey of iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is ISDXWCSLFXLDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N2.C12H7N2O.Ir/c1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)15-14-12;/h2-10,12-16H,1H3;1-4,6-8H;/q2*-1;.
What are the key properties of iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine?
iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 720.83 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 153493040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).