chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium

C16H39ClIrNP2+2 — CID 58997743

IUPACchloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium
SMILESCCC[PH+](CCC)CCNCC[PH+](CCC)CCC.Cl[Ir]
InChIInChI=1S/C16H37NP2.ClH.Ir/c1-5-11-18(12-6-2)15-9-17-10-16-19(13-7-3)14-8-4;;/h17H,5-16H2,1-4H3;1H;/q;;+1/p+1
InChIKeyPNVPLTXJHJPNSG-UHFFFAOYSA-O
MW535.11 g/mol
LogP5.33
Rot. Bonds14

About chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium

chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium (PubChem CID 58997743) has the molecular formula C16H39ClIrNP2+2 and a molecular weight of 535.11 g/mol. Its IUPAC name is chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium.

Molecular Properties

Compound Namechloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium
PubChem CID58997743
Molecular FormulaC16H39ClIrNP2+2
Molecular Weight535.11 g/mol
Exact Mass535.19
IUPAC Namechloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium
SMILESCCC[PH+](CCC)CCNCC[PH+](CCC)CCC.Cl[Ir]
InChIInChI=1S/C16H37NP2.ClH.Ir/c1-5-11-18(12-6-2)15-9-17-10-16-19(13-7-3)14-8-4;;/h17H,5-16H2,1-4H3;1H;/q;;+1/p+1
InChIKeyPNVPLTXJHJPNSG-UHFFFAOYSA-O
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.11
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium?
The IUPAC name of chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium (CID 58997743) is chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium.
What is the SMILES notation for chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium?
The canonical SMILES for chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium is CCC[PH+](CCC)CCNCC[PH+](CCC)CCC.Cl[Ir].
What is the InChIKey of chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium?
The InChIKey is PNVPLTXJHJPNSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H37NP2.ClH.Ir/c1-5-11-18(12-6-2)15-9-17-10-16-19(13-7-3)14-8-4;;/h17H,5-16H2,1-4H3;1H;/q;;+1/p+1.
What are the key properties of chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium?
chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium has a molecular weight of 535.11 g/mol, XLogP of 5.33, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dihydrido)iridium;2-(2-dipropylphosphaniumylethylamino)ethyl-dipropylphosphanium is sourced from PubChem (CID 58997743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).