potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide

C24H43IrKOP2 — CID 140800536

IUPACpotassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide
SMILESC=C=CC.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)c[c-]c1)C(C)C.[Ir].[K+].[OH-]
InChIInChI=1S/C20H34P2.C4H6.Ir.K.H2O/c1-15(2)21(16(3)4)13-19-10-9-11-20(12-19)14-22(17(5)6)18(7)8;1-3-4-2;;;/h10-11,15-18H,13-14H2,1-8H3;4H,1H2,2H3;;;1H2/q-2;;;+1;/p+1
InChIKeyMEXPLDRKMAKBDQ-UHFFFAOYSA-O
MW640.87 g/mol
LogP4.52
Rot. Bonds8

About potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide

potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide (PubChem CID 140800536) has the molecular formula C24H43IrKOP2 and a molecular weight of 640.87 g/mol. Its IUPAC name is potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide.

Molecular Properties

Compound Namepotassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide
PubChem CID140800536
Molecular FormulaC24H43IrKOP2
Molecular Weight640.87 g/mol
Exact Mass641.21
IUPAC Namepotassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide
SMILESC=C=CC.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)c[c-]c1)C(C)C.[Ir].[K+].[OH-]
InChIInChI=1S/C20H34P2.C4H6.Ir.K.H2O/c1-15(2)21(16(3)4)13-19-10-9-11-20(12-19)14-22(17(5)6)18(7)8;1-3-4-2;;;/h10-11,15-18H,13-14H2,1-8H3;4H,1H2,2H3;;;1H2/q-2;;;+1;/p+1
InChIKeyMEXPLDRKMAKBDQ-UHFFFAOYSA-O
XLogP4.52
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.87
LogP ≤ 54.52
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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Frequently Asked Questions

What is the IUPAC name of potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide?
The IUPAC name of potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide (CID 140800536) is potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide.
What is the SMILES notation for potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide?
The canonical SMILES for potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide is C=C=CC.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)c[c-]c1)C(C)C.[Ir].[K+].[OH-].
What is the InChIKey of potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide?
The InChIKey is MEXPLDRKMAKBDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H34P2.C4H6.Ir.K.H2O/c1-15(2)21(16(3)4)13-19-10-9-11-20(12-19)14-22(17(5)6)18(7)8;1-3-4-2;;;/h10-11,15-18H,13-14H2,1-8H3;4H,1H2,2H3;;;1H2/q-2;;;+1;/p+1.
What are the key properties of potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide?
potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide has a molecular weight of 640.87 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;iridium;hydroxide is sourced from PubChem (CID 140800536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).