1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium

C134H136FN10OS+5 — CID 159340721

IUPAC1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium
SMILESCc1cc(F)ccc1-c1n(-c2c(-c3ccccc3)cc(C(C)C)cc2-c2ccccc2)cc[n+]1C.Cc1cccc2c3ccccc3[n+]3cc(C)n(C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc3c(sc4ccccc43)c2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2cc3oc4ccccc4c3cc2C(C)C)cc[n+]1C
InChIInChI=1S/C32H30FN2.C29H31N2S.C29H33N2.C26H25N2O.C18H17N2/c1-22(2)26-20-29(24-11-7-5-8-12-24)31(30(21-26)25-13-9-6-10-14-25)35-18-17-34(4)32(35)28-16-15-27(33)19-23(28)3;1-18(2)23-17-24-22-13-9-10-14-25(22)32-28(24)26(19(3)4)27(23)31-16-15-30(6)29(31)21-12-8-7-11-20(21)5;1-20(2)26-18-24(23-13-8-7-9-14-23)19-27(21(3)4)28(26)31-17-16-30(6)29(31)25-15-11-10-12-22(25)5;1-17(2)21-15-22-20-11-7-8-12-24(20)29-25(22)16-23(21)28-14-13-27(4)26(28)19-10-6-5-9-18(19)3;1-12-7-6-9-15-14-8-4-5-10-16(14)20-11-13(2)19(3)18(20)17(12)15/h5-22H,1-4H3;7-19H,1-6H3;7-21H,1-6H3;5-17H,1-4H3;4-11H,1-3H3/q5*+1
InChIKeyRZAFYCAIOVVAMW-UHFFFAOYSA-N
MW1953.70 g/mol
LogP32.94
Rot. Bonds17

About 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium

1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium (PubChem CID 159340721) has the molecular formula C134H136FN10OS+5 and a molecular weight of 1953.70 g/mol. Its IUPAC name is 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium.

Molecular Properties

Compound Name1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium
PubChem CID159340721
Molecular FormulaC134H136FN10OS+5
Molecular Weight1953.70 g/mol
Exact Mass1952.06
IUPAC Name1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium
SMILESCc1cc(F)ccc1-c1n(-c2c(-c3ccccc3)cc(C(C)C)cc2-c2ccccc2)cc[n+]1C.Cc1cccc2c3ccccc3[n+]3cc(C)n(C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc3c(sc4ccccc43)c2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2cc3oc4ccccc4c3cc2C(C)C)cc[n+]1C
InChIInChI=1S/C32H30FN2.C29H31N2S.C29H33N2.C26H25N2O.C18H17N2/c1-22(2)26-20-29(24-11-7-5-8-12-24)31(30(21-26)25-13-9-6-10-14-25)35-18-17-34(4)32(35)28-16-15-27(33)19-23(28)3;1-18(2)23-17-24-22-13-9-10-14-25(22)32-28(24)26(19(3)4)27(23)31-16-15-30(6)29(31)21-12-8-7-11-20(21)5;1-20(2)26-18-24(23-13-8-7-9-14-23)19-27(21(3)4)28(26)31-17-16-30(6)29(31)25-15-11-10-12-22(25)5;1-17(2)21-15-22-20-11-7-8-12-24(20)29-25(22)16-23(21)28-14-13-27(4)26(28)19-10-6-5-9-18(19)3;1-12-7-6-9-15-14-8-4-5-10-16(14)20-11-13(2)19(3)18(20)17(12)15/h5-22H,1-4H3;7-19H,1-6H3;7-21H,1-6H3;5-17H,1-4H3;4-11H,1-3H3/q5*+1
InChIKeyRZAFYCAIOVVAMW-UHFFFAOYSA-N
XLogP32.94
TPSA57.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001953.70
LogP ≤ 532.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium with MolForge

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Related Compounds

1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium
CID 160723478
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;pentakis(1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole);bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
CID 157479785
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 58240311
1-(2,4-dimethyldibenzofuran-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-(2,4-dimethyldibenzothiophen-3-yl)-3-methyl-2-(2-methylphenyl)imidazol-3-ium;3-(2,6-dimethylphenyl)-1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1-(2,6-dimethylphenyl)-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;1-methyl-2,3-bis(2-methylphenyl)benzimidazol-1-ium
CID 161014304
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 123883372
2,4,7-trimethyl-8-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 140708311
5,8-dimethyl-16-oxa-2-aza-5-azoniahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7,9,11,14,17,19,21,23-undecaene
CID 176752952
2-(7-fluoro-1-methyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316047
3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene
CID 158033812
2,4-difluoro-6-methyl-7-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464890
8-[1-(2,6-diphenylphenyl)-3-methylimidazol-3-ium-2-yl]-2,5-difluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153464811
2-fluoro-6-methyl-7-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464819

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium?
The IUPAC name of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium (CID 159340721) is 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium.
What is the SMILES notation for 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium?
The canonical SMILES for 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium is Cc1cc(F)ccc1-c1n(-c2c(-c3ccccc3)cc(C(C)C)cc2-c2ccccc2)cc[n+]1C.Cc1cccc2c3ccccc3[n+]3cc(C)n(C)c3c12.Cc1ccccc1-c1n(-c2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2c(C(C)C)cc3c(sc4ccccc43)c2C(C)C)cc[n+]1C.Cc1ccccc1-c1n(-c2cc3oc4ccccc4c3cc2C(C)C)cc[n+]1C.
What is the InChIKey of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium?
The InChIKey is RZAFYCAIOVVAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN2.C29H31N2S.C29H33N2.C26H25N2O.C18H17N2/c1-22(2)26-20-29(24-11-7-5-8-12-24)31(30(21-26)25-13-9-6-10-14-25)35-18-17-34(4)32(35)28-16-15-27(33)19-23(28)3;1-18(2)23-17-24-22-13-9-10-14-25(22)32-28(24)26(19(3)4)27(23)31-16-15-30(6)29(31)21-12-8-7-11-20(21)5;1-20(2)26-18-24(23-13-8-7-9-14-23)19-27(21(3)4)28(26)31-17-16-30(6)29(31)25-15-11-10-12-22(25)5;1-17(2)21-15-22-20-11-7-8-12-24(20)29-25(22)16-23(21)28-14-13-27(4)26(28)19-10-6-5-9-18(19)3;1-12-7-6-9-15-14-8-4-5-10-16(14)20-11-13(2)19(3)18(20)17(12)15/h5-22H,1-4H3;7-19H,1-6H3;7-21H,1-6H3;5-17H,1-4H3;4-11H,1-3H3/q5*+1.
What are the key properties of 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium?
1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium has a molecular weight of 1953.70 g/mol, XLogP of 32.94, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenyl-4-propan-2-ylphenyl)-2-(4-fluoro-2-methylphenyl)-3-methylimidazol-3-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium;1-methyl-2-(2-methylphenyl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-(2-propan-2-yldibenzofuran-3-yl)imidazol-1-ium;1,2,12-trimethylimidazo[1,2-f]phenanthridin-4-ium is sourced from PubChem (CID 159340721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).