carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine

C23H19IrN6 — CID 58965563

IUPACcarbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine
SMILES[CH3-].[Ir+3].[c-]1c(-n2cccn2)cncc1-n1cccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N5.C11H8N.CH3.Ir/c1-3-13-15(5-1)10-7-11(9-12-8-10)16-6-2-4-14-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-6,8-9H;1-6,8-9H;1H3;/q3*-1;+3
InChIKeyMHVPPSBPOGPFTP-UHFFFAOYSA-N
MW571.66 g/mol
LogP4.25
Rot. Bonds3

About carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine

carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine (PubChem CID 58965563) has the molecular formula C23H19IrN6 and a molecular weight of 571.66 g/mol. Its IUPAC name is carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine.

Molecular Properties

Compound Namecarbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine
PubChem CID58965563
Molecular FormulaC23H19IrN6
Molecular Weight571.66 g/mol
Exact Mass572.13
IUPAC Namecarbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine
SMILES[CH3-].[Ir+3].[c-]1c(-n2cccn2)cncc1-n1cccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N5.C11H8N.CH3.Ir/c1-3-13-15(5-1)10-7-11(9-12-8-10)16-6-2-4-14-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-6,8-9H;1-6,8-9H;1H3;/q3*-1;+3
InChIKeyMHVPPSBPOGPFTP-UHFFFAOYSA-N
XLogP4.25
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.66
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine 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

bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 160529922
iridium;tris(2-phenylpyridine)
CID 23386734
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
iridium(3+);3-methyl-1-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]pyrazole;2-phenylpyridine;cyanide
CID 58965509
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
iridium;1-(2-methyl-3,7-dihydroinden-7-id-1-yl)pyrazole;2-phenylpyridine
CID 58991687
iridium;6-phenylpyridine-2-carboxylic acid;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole
CID 58898340
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144

Frequently Asked Questions

What is the IUPAC name of carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine?
The IUPAC name of carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine (CID 58965563) is carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine.
What is the SMILES notation for carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine?
The canonical SMILES for carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine is [CH3-].[Ir+3].[c-]1c(-n2cccn2)cncc1-n1cccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine?
The InChIKey is MHVPPSBPOGPFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N5.C11H8N.CH3.Ir/c1-3-13-15(5-1)10-7-11(9-12-8-10)16-6-2-4-14-16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-6,8-9H;1-6,8-9H;1H3;/q3*-1;+3.
What are the key properties of carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine?
carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine has a molecular weight of 571.66 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine is sourced from PubChem (CID 58965563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).