bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)

C108H134Au2F6N6O12S2 — CID 139053050

IUPACbis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)
SMILESCC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CCOCC.CCOCC.COc1ccc(C(=C[CH-][n+]2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(=C[CH-][n+]2ccccc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Au+].[Au+]
InChIInChI=1S/2C27H36N2.2C22H21NO2.2C4H10O.2CHF3O3S.2Au/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-24-20-10-6-18(7-11-20)22(14-17-23-15-4-3-5-16-23)19-8-12-21(25-2)13-9-19;2*1-3-5-4-2;2*2-1(3,4)8(5,6)7;;/h2*9-16,18-21H,1-8H3;2*3-17H,1-2H3;2*3-4H2,1-2H3;2*(H,5,6,7);;/q;;;;;;;;2*+1/p-2
InChIKeyCQTIZGLCEQGAQE-UHFFFAOYSA-L
MW2280.35 g/mol
LogP24.55
Rot. Bonds28

About bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)

bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate) (PubChem CID 139053050) has the molecular formula C108H134Au2F6N6O12S2 and a molecular weight of 2280.35 g/mol. Its IUPAC name is bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namebis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)
PubChem CID139053050
Molecular FormulaC108H134Au2F6N6O12S2
Molecular Weight2280.35 g/mol
Exact Mass2278.87
IUPAC Namebis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)
SMILESCC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CCOCC.CCOCC.COc1ccc(C(=C[CH-][n+]2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(=C[CH-][n+]2ccccc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Au+].[Au+]
InChIInChI=1S/2C27H36N2.2C22H21NO2.2C4H10O.2CHF3O3S.2Au/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-24-20-10-6-18(7-11-20)22(14-17-23-15-4-3-5-16-23)19-8-12-21(25-2)13-9-19;2*1-3-5-4-2;2*2-1(3,4)8(5,6)7;;/h2*9-16,18-21H,1-8H3;2*3-17H,1-2H3;2*3-4H2,1-2H3;2*(H,5,6,7);;/q;;;;;;;;2*+1/p-2
InChIKeyCQTIZGLCEQGAQE-UHFFFAOYSA-L
XLogP24.55
TPSA195.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002280.35
LogP ≤ 524.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate) with MolForge

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;copper(1+);chloride
CID 117058583
[5-chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-4-yl]-methyl-diphenylphosphanium;1,2-difluorobenzene;trifluoromethanesulfonate
CID 139168852
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[(E)-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]diazenyl]azanide;trifluoromethanesulfonate
CID 139125673
anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
CID 11104386
1-(3-methoxyphenyl)-3-methylimidazol-3-ium;trifluoromethanesulfonate
CID 11163544
(4-methoxyphenyl)methyl-diphenylsulfanium;trifluoromethanesulfonate
CID 161364484
bis(3-methoxyphenyl)iodanium;trifluoromethanesulfonate
CID 175669103
methane;(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;bis(triphenylsulfanium)
CID 159553561
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;bis(dichloromethane);dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium(2+);dichloride
CID 139159297
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
(4-fluorophenyl) 3-methylimidazol-3-ium-1-sulfonate;trifluoromethanesulfonate
CID 142424321

Frequently Asked Questions

What is the IUPAC name of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)?
The IUPAC name of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate) (CID 139053050) is bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate).
What is the SMILES notation for bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)?
The canonical SMILES for bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate) is CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.CCOCC.CCOCC.COc1ccc(C(=C[CH-][n+]2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(=C[CH-][n+]2ccccc2)c2ccc(OC)cc2)cc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Au+].[Au+].
What is the InChIKey of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)?
The InChIKey is CQTIZGLCEQGAQE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C27H36N2.2C22H21NO2.2C4H10O.2CHF3O3S.2Au/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-24-20-10-6-18(7-11-20)22(14-17-23-15-4-3-5-16-23)19-8-12-21(25-2)13-9-19;2*1-3-5-4-2;2*2-1(3,4)8(5,6)7;;/h2*9-16,18-21H,1-8H3;2*3-17H,1-2H3;2*3-4H2,1-2H3;2*(H,5,6,7);;/q;;;;;;;;2*+1/p-2.
What are the key properties of bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate)?
bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate) has a molecular weight of 2280.35 g/mol, XLogP of 24.55, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(1-[3,3-bis(4-methoxyphenyl)prop-2-enyl]pyridin-1-ium);ethoxyethane;bis(gold(1+));bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139053050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).