carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine

C24H23IrN2O2P+ — CID 159046711

IUPACcarbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine
SMILESC[PH+](Oc1[c-]cccc1)Oc1[c-]cccc1.[CH3-].[Ir+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H11O2P.C10H8N2.CH3.Ir/c1-16(14-12-8-4-2-5-9-12)15-13-10-6-3-7-11-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2-8,10H,1H3;1-8H;1H3;/q-2;;-1;+3/p+1
InChIKeyZVEZDGCAPWGFSU-UHFFFAOYSA-O
MW594.65 g/mol
LogP6.01
Rot. Bonds5

About carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine

carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine (PubChem CID 159046711) has the molecular formula C24H23IrN2O2P+ and a molecular weight of 594.65 g/mol. Its IUPAC name is carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namecarbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine
PubChem CID159046711
Molecular FormulaC24H23IrN2O2P+
Molecular Weight594.65 g/mol
Exact Mass595.11
IUPAC Namecarbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine
SMILESC[PH+](Oc1[c-]cccc1)Oc1[c-]cccc1.[CH3-].[Ir+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H11O2P.C10H8N2.CH3.Ir/c1-16(14-12-8-4-2-5-9-12)15-13-10-6-3-7-11-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2-8,10H,1H3;1-8H;1H3;/q-2;;-1;+3/p+1
InChIKeyZVEZDGCAPWGFSU-UHFFFAOYSA-O
XLogP6.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.65
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine
CID 58402214
iridium(3+);methyl-bis(phenoxy)phosphanium;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;triphenylphosphanium
CID 58402218
dimethyl(phenyl)phosphanium;iridium(3+);methyl-bis(phenoxy)phosphanium;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine
CID 58402228
carbanide;iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;methyl-phenoxy-(phenoxy)phosphanium;triphenylphosphanium
CID 58402213
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
iodopalladium(1+);phenol;2-pyridin-2-ylpyridine
CID 54678898
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
iridium;tris(2-phenylpyridine)
CID 23386734
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
The IUPAC name of carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine (CID 159046711) is carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine.
What is the SMILES notation for carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
The canonical SMILES for carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine is C[PH+](Oc1[c-]cccc1)Oc1[c-]cccc1.[CH3-].[Ir+3].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
The InChIKey is ZVEZDGCAPWGFSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11O2P.C10H8N2.CH3.Ir/c1-16(14-12-8-4-2-5-9-12)15-13-10-6-3-7-11-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2-8,10H,1H3;1-8H;1H3;/q-2;;-1;+3/p+1.
What are the key properties of carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine has a molecular weight of 594.65 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 159046711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).