carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine

C24H24ClIrN2O2P+ — CID 58402214

IUPACcarbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine
SMILESC[PH+](Oc1[c-]cccc1)Oc1ccccc1.Cl[Ir+2].[CH3-].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12O2P.C10H8N2.CH3.ClH.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;;;/h2-10H,1H3;1-8H;1H3;1H;/q-1;;-1;;+3
InChIKeyZMLDWEIWUHQOGE-UHFFFAOYSA-N
MW631.11 g/mol
LogP6.90
Rot. Bonds5

About carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine

carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine (PubChem CID 58402214) has the molecular formula C24H24ClIrN2O2P+ and a molecular weight of 631.11 g/mol. Its IUPAC name is carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namecarbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine
PubChem CID58402214
Molecular FormulaC24H24ClIrN2O2P+
Molecular Weight631.11 g/mol
Exact Mass631.09
IUPAC Namecarbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine
SMILESC[PH+](Oc1[c-]cccc1)Oc1ccccc1.Cl[Ir+2].[CH3-].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12O2P.C10H8N2.CH3.ClH.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;;;/h2-10H,1H3;1-8H;1H3;1H;/q-1;;-1;;+3
InChIKeyZMLDWEIWUHQOGE-UHFFFAOYSA-N
XLogP6.90
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.11
LogP ≤ 56.90
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;iridium(3+);methyl-bis(phenoxy)phosphanium;2-pyridin-2-ylpyridine
CID 159046711
carbanide;iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;methyl-phenoxy-(phenoxy)phosphanium;triphenylphosphanium
CID 58402213
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
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
iodopalladium(1+);phenol;2-pyridin-2-ylpyridine
CID 54678898
2-pyridin-2-ylpyridine;trichloroiron
CID 13245641
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
chlorozinc(1+);2-phenylpyridine
CID 59773311

Frequently Asked Questions

What is the IUPAC name of carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
The IUPAC name of carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine (CID 58402214) is carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine.
What is the SMILES notation for carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
The canonical SMILES for carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine is C[PH+](Oc1[c-]cccc1)Oc1ccccc1.Cl[Ir+2].[CH3-].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
The InChIKey is ZMLDWEIWUHQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2P.C10H8N2.CH3.ClH.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;;;/h2-10H,1H3;1-8H;1H3;1H;/q-1;;-1;;+3.
What are the key properties of carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine?
carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine has a molecular weight of 631.11 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chloroiridium(2+);methyl-phenoxy-(phenoxy)phosphanium;2-pyridin-2-ylpyridine is sourced from PubChem (CID 58402214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).