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

C47H84Ir2KOP4+ — CID 160524779

IUPACpotassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide
SMILESC=C=C.C=C=CC.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)c[c-]c1)C(C)C.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)ccc1)C(C)C.[Ir].[Ir].[K+].[OH-]
InChIInChI=1S/C20H35P2.C20H34P2.C4H6.C3H4.2Ir.K.H2O/c2*1-15(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;1-3-2;;;;/h9-11,15-18H,13-14H2,1-8H3;10-11,15-18H,13-14H2,1-8H3;4H,1H2,2H3;1-2H2;;;;1H2/q-1;-2;;;;;+1;/p+3
InChIKeyODPXHEWPUUGDHQ-UHFFFAOYSA-Q
MW1212.62 g/mol
LogP12.02
Rot. Bonds16

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

potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide (PubChem CID 160524779) has the molecular formula C47H84Ir2KOP4+ and a molecular weight of 1212.62 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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide
PubChem CID160524779
Molecular FormulaC47H84Ir2KOP4+
Molecular Weight1212.62 g/mol
Exact Mass1213.44
IUPAC Namepotassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide
SMILESC=C=C.C=C=CC.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)c[c-]c1)C(C)C.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)ccc1)C(C)C.[Ir].[Ir].[K+].[OH-]
InChIInChI=1S/C20H35P2.C20H34P2.C4H6.C3H4.2Ir.K.H2O/c2*1-15(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;1-3-2;;;;/h9-11,15-18H,13-14H2,1-8H3;10-11,15-18H,13-14H2,1-8H3;4H,1H2,2H3;1-2H2;;;;1H2/q-1;-2;;;;;+1;/p+3
InChIKeyODPXHEWPUUGDHQ-UHFFFAOYSA-Q
XLogP12.02
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.62
LogP ≤ 512.02
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'}

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

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Related Compounds

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
[3-di(propan-2-yl)phosphaniumyloxybenzene-2-id-1-yl]methyl-methyl-propan-2-ylphosphanium;iridium;propa-1,2-diene
CID 157059147
ditert-butyl-[[3-(ditert-butylphosphaniumylmethyl)-5-methylbenzene-2-id-1-yl]methyl]phosphanium;ditert-butyl-(3-ditert-butylphosphaniumyloxybenzene-2-id-1-yl)oxyphosphanium;[3-[di(propan-2-yl)phosphaniumylmethyl]-5-methylbenzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;tris(iridium);propa-1,2-diene
CID 158376068
[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
CID 153284875
chloropalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54725089
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532
N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine
CID 138536706
3-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
CID 63986878
N-[(6-chloro-2-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79484120
2-[6-(butan-2-ylamino)-2-pyridinyl]acetonitrile
CID 126989450
dipotassium;1-(chloromethyl)-3-(fluoromethyl)benzene-2-ide
CID 177360349
bromoplatinum(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 54713754

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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide (CID 160524779) is potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide is C=C=C.C=C=CC.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)c[c-]c1)C(C)C.CC(C)[PH+](Cc1[c-]c(C[PH+](C(C)C)C(C)C)ccc1)C(C)C.[Ir].[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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide?
The InChIKey is ODPXHEWPUUGDHQ-UHFFFAOYSA-Q. The full InChI is InChI=1S/C20H35P2.C20H34P2.C4H6.C3H4.2Ir.K.H2O/c2*1-15(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;1-3-2;;;;/h9-11,15-18H,13-14H2,1-8H3;10-11,15-18H,13-14H2,1-8H3;4H,1H2,2H3;1-2H2;;;;1H2/q-1;-2;;;;;+1;/p+3.
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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide?
potassium;buta-1,2-diene;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2,5-diid-1-yl]methyl-di(propan-2-yl)phosphanium;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide has a molecular weight of 1212.62 g/mol, XLogP of 12.02, 16 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;[3-[di(propan-2-yl)phosphaniumylmethyl]benzene-2-id-1-yl]methyl-di(propan-2-yl)phosphanium;bis(iridium);propa-1,2-diene;hydroxide is sourced from PubChem (CID 160524779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).