[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane

C25H34N2O2P+ — CID 102453560

IUPAC[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane
SMILESCCOP(OCC)c1n(-c2c(C)cc(C)cc2C)cc[n+]1-c1c(C)cc(C)cc1C
InChIInChI=1S/C25H34N2O2P/c1-9-28-30(29-10-2)25-26(23-19(5)13-17(3)14-20(23)6)11-12-27(25)24-21(7)15-18(4)16-22(24)8/h11-16H,9-10H2,1-8H3/q+1
InChIKeyXSACEAPOPOSTPQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.61
Rot. Bonds7

About [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane

[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane (PubChem CID 102453560) has the molecular formula C25H34N2O2P+ and a molecular weight of 425.53 g/mol. Its IUPAC name is [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane.

Molecular Properties

Compound Name[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane
PubChem CID102453560
Molecular FormulaC25H34N2O2P+
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane
SMILESCCOP(OCC)c1n(-c2c(C)cc(C)cc2C)cc[n+]1-c1c(C)cc(C)cc1C
InChIInChI=1S/C25H34N2O2P/c1-9-28-30(29-10-2)25-26(23-19(5)13-17(3)14-20(23)6)11-12-27(25)24-21(7)15-18(4)16-22(24)8/h11-16H,9-10H2,1-8H3/q+1
InChIKeyXSACEAPOPOSTPQ-UHFFFAOYSA-N
XLogP5.61
TPSA27.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-iodo-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium bromide
CID 156773599
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]phosphane
CID 102349812
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]methyl-dicyclohexylphosphane
CID 102259929
2-[(Z)-3-ethoxy-1-phenylprop-2-enyl]-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium
CID 132992065
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]methanedithiolate;carbon monoxide;dichloromethane;rhenium
CID 139169546
5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol
CID 177430023
disilver;bis(dichloromethane);gold(1+);bis(N-phenyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboximidothioate);tetrakis(trifluoromethanesulfonate)
CID 139156648
ethyl 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-4-carboxylate
CID 132511970
5-[[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dibutylpyridin-2-amine
CID 58798097
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-cyclohexa-2,4-dien-1-yl-ethenoxymethanol
CID 134949354
bis(acetonitrile);bis(1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium);molybdenum;nonadecakis(oxygen(2-))
CID 139157775
1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
CID 122228843

Frequently Asked Questions

What is the IUPAC name of [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane?
The IUPAC name of [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane (CID 102453560) is [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane.
What is the SMILES notation for [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane?
The canonical SMILES for [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane is CCOP(OCC)c1n(-c2c(C)cc(C)cc2C)cc[n+]1-c1c(C)cc(C)cc1C.
What is the InChIKey of [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane?
The InChIKey is XSACEAPOPOSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2P/c1-9-28-30(29-10-2)25-26(23-19(5)13-17(3)14-20(23)6)11-12-27(25)24-21(7)15-18(4)16-22(24)8/h11-16H,9-10H2,1-8H3/q+1.
What are the key properties of [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane?
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane has a molecular weight of 425.53 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane is sourced from PubChem (CID 102453560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).