iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium

C14H16IrNP — CID 59782046

IUPACiridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium
SMILESC[P+](C)(C)c1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C14H16NP.Ir/c1-16(2,3)13-9-10-15-14(11-13)12-7-5-4-6-8-12;/h4-7,9-11H,1-3H3;
InChIKeyHADZYOVOEMQLEK-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.08
Rot. Bonds2

About iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium

iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium (PubChem CID 59782046) has the molecular formula C14H16IrNP and a molecular weight of 421.48 g/mol. Its IUPAC name is iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium.

Molecular Properties

Compound Nameiridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium
PubChem CID59782046
Molecular FormulaC14H16IrNP
Molecular Weight421.48 g/mol
Exact Mass422.06
IUPAC Nameiridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium
SMILESC[P+](C)(C)c1ccnc(-c2[c-]cccc2)c1.[Ir]
InChIInChI=1S/C14H16NP.Ir/c1-16(2,3)13-9-10-15-14(11-13)12-7-5-4-6-8-12;/h4-7,9-11H,1-3H3;
InChIKeyHADZYOVOEMQLEK-UHFFFAOYSA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

iridium;pentane-2,4-diol;bis(4-phenyl-2-phenylpyridine)
CID 153309687
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;2-phenyl-4-propan-2-ylpyridine;2-pyridin-2-ylphenol
CID 168799288
iridium;4-(5-methyl-2-pyridinyl)-2-phenylpyridine;2-phenylpyridine
CID 166035043
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
CID 172511088
4-(3,5-dimethylphenyl)-2-phenylpyridine;iridium(3+);phenylbenzene
CID 162487319
iridium;2-phenyl-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162709837
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
bis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;bis(4-(2-methylpropyl)-2-phenylpyridine)
CID 158115566
iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 166499170
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
2,4-diphenylpyridine;iridium;iridium(3+);methanol;4-phenyl-2-phenylpyridine;tris(2-phenyl-5-propan-2-ylpyridine)
CID 160553096

Frequently Asked Questions

What is the IUPAC name of iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium?
The IUPAC name of iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium (CID 59782046) is iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium.
What is the SMILES notation for iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium?
The canonical SMILES for iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium is C[P+](C)(C)c1ccnc(-c2[c-]cccc2)c1.[Ir].
What is the InChIKey of iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium?
The InChIKey is HADZYOVOEMQLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NP.Ir/c1-16(2,3)13-9-10-15-14(11-13)12-7-5-4-6-8-12;/h4-7,9-11H,1-3H3;.
What are the key properties of iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium?
iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium has a molecular weight of 421.48 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;trimethyl-(2-phenyl-4-pyridinyl)phosphanium is sourced from PubChem (CID 59782046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).