1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane

C303H314N20O2S8+10 — CID 160789650

IUPAC1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane
SMILESC.C.C.CC(C)Cc1cc(CC(C)C)c2c(sc3ccccc32)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc(CC(C)C)c2sc3ccccc3c2c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc2c(sc3ccccc32)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc2sc3ccccc3c2c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc(C(C)C)c2c(sc3ccccc32)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc(C(C)C)c2sc3ccccc3c2c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2sc3ccccc3c2c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.c1ccc2c(c1)C[n+]1ccn(-c3c(C4CCCCC4)cc(C4CCCCC4)c4c3oc3ccccc34)c1-2.c1ccc2c(c1)C[n+]1ccn(-c3c(C4CCCCC4)cc(C4CCCCC4)c4oc5ccccc5c34)c1-2
InChIInChI=1S/2C34H35N2O.4C30H31N2S.4C28H27N2S.3CH4/c1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)33-31(27-17-9-10-18-30(27)37-33)32(28)36-20-19-35-22-25-15-7-8-16-26(25)34(35)36;1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)32(33-31(28)27-17-9-10-18-30(27)37-33)36-20-19-35-22-25-15-7-8-16-26(25)34(35)36;1-19(2)15-22-17-23(16-20(3)4)29-27(25-11-7-8-12-26(25)33-29)28(22)32-14-13-31-18-21-9-5-6-10-24(21)30(31)32;1-19(2)15-22-17-23(16-20(3)4)28(29-27(22)25-11-7-8-12-26(25)33-29)32-14-13-31-18-21-9-5-6-10-24(21)30(31)32;1-19(2)15-22-17-25-24-11-7-8-12-27(24)33-29(25)26(16-20(3)4)28(22)32-14-13-31-18-21-9-5-6-10-23(21)30(31)32;1-19(2)15-22-17-27-28(24-11-7-8-12-26(24)33-27)25(16-20(3)4)29(22)32-14-13-31-18-21-9-5-6-10-23(21)30(31)32;1-17(2)22-15-23-21-11-7-8-12-24(21)31-27(23)25(18(3)4)26(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-23(18(3)4)27-25(21-11-7-8-12-24(21)31-27)26(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-23(18(3)4)26(27-25(22)21-11-7-8-12-24(21)31-27)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-24-26(21-11-7-8-12-23(21)31-24)25(18(3)4)27(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;;;/h2*7-10,15-21,23-24H,1-6,11-14,22H2;4*5-14,17,19-20H,15-16,18H2,1-4H3;4*5-15,17-18H,16H2,1-4H3;3*1H4/q10*+1;;;
InChIKeyCZUCSQNWLMCQBY-UHFFFAOYSA-N
MW4524.52 g/mol
LogP79.35
Rot. Bonds38

About 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane

1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane (PubChem CID 160789650) has the molecular formula C303H314N20O2S8+10 and a molecular weight of 4524.52 g/mol. Its IUPAC name is 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane.

Molecular Properties

Compound Name1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane
PubChem CID160789650
Molecular FormulaC303H314N20O2S8+10
Molecular Weight4524.52 g/mol
Exact Mass4520.28
IUPAC Name1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane
SMILESC.C.C.CC(C)Cc1cc(CC(C)C)c2c(sc3ccccc32)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc(CC(C)C)c2sc3ccccc3c2c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc2c(sc3ccccc32)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc2sc3ccccc3c2c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc(C(C)C)c2c(sc3ccccc32)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc(C(C)C)c2sc3ccccc3c2c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2sc3ccccc3c2c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.c1ccc2c(c1)C[n+]1ccn(-c3c(C4CCCCC4)cc(C4CCCCC4)c4c3oc3ccccc34)c1-2.c1ccc2c(c1)C[n+]1ccn(-c3c(C4CCCCC4)cc(C4CCCCC4)c4oc5ccccc5c34)c1-2
InChIInChI=1S/2C34H35N2O.4C30H31N2S.4C28H27N2S.3CH4/c1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)33-31(27-17-9-10-18-30(27)37-33)32(28)36-20-19-35-22-25-15-7-8-16-26(25)34(35)36;1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)32(33-31(28)27-17-9-10-18-30(27)37-33)36-20-19-35-22-25-15-7-8-16-26(25)34(35)36;1-19(2)15-22-17-23(16-20(3)4)29-27(25-11-7-8-12-26(25)33-29)28(22)32-14-13-31-18-21-9-5-6-10-24(21)30(31)32;1-19(2)15-22-17-23(16-20(3)4)28(29-27(22)25-11-7-8-12-26(25)33-29)32-14-13-31-18-21-9-5-6-10-24(21)30(31)32;1-19(2)15-22-17-25-24-11-7-8-12-27(24)33-29(25)26(16-20(3)4)28(22)32-14-13-31-18-21-9-5-6-10-23(21)30(31)32;1-19(2)15-22-17-27-28(24-11-7-8-12-26(24)33-27)25(16-20(3)4)29(22)32-14-13-31-18-21-9-5-6-10-23(21)30(31)32;1-17(2)22-15-23-21-11-7-8-12-24(21)31-27(23)25(18(3)4)26(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-23(18(3)4)27-25(21-11-7-8-12-24(21)31-27)26(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-23(18(3)4)26(27-25(22)21-11-7-8-12-24(21)31-27)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-24-26(21-11-7-8-12-23(21)31-24)25(18(3)4)27(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;;;/h2*7-10,15-21,23-24H,1-6,11-14,22H2;4*5-14,17,19-20H,15-16,18H2,1-4H3;4*5-15,17-18H,16H2,1-4H3;3*1H4/q10*+1;;;
InChIKeyCZUCSQNWLMCQBY-UHFFFAOYSA-N
XLogP79.35
TPSA114.38 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004524.52
LogP ≤ 579.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane with MolForge

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Related Compounds

1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;1-(1,3-dicyclohexyldibenzofuran-4-yl)-2-phenylbenzimidazole;1-(2,4-dicyclohexyldibenzofuran-1-yl)-2-phenylbenzimidazole;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;octakis(iridium)
CID 159748500
7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine
CID 158101859
1-[2,6-bis(2-methylpropyl)-3,5-diphenylphenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[3,5-diphenyl-2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[3-phenyl-2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium
CID 157192206
7-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-25-[2,6-di(propan-2-yl)phenyl]-2-methylidene-7,25-diaza-4,28-diazoniahexacyclo[15.11.0.04,8.09,14.018,23.024,28]octacosa-4(8),5,9,11,13,18,20,22,24(28),26-decaene
CID 170034910
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-5,5-diethyl-6H-imidazo[2,1-a]isoquinolin-4-ium
CID 123158587
4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-9-methyl-1,3-di(propan-2-yl)carbazole
CID 159928089
3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-b]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine;7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[3,2-c]pyridine;3-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-2,4-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine
CID 160811915
1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-2-phenylbenzimidazole;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-2-phenylbenzimidazole;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-2-phenylbenzimidazole;tetrakis(iridium)
CID 159250290
3-[2,6-bis(2-methylpropyl)phenyl]-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;8-tert-butyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dimethylphenyl)-8-(2,2-dimethylpropyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium
CID 162121592
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
5-(1,3-dicyclohexyldibenzothiophen-4-yl)-11H-isoindolo[2,1-a]benzimidazol-10-ium;1-(1,3-dicyclohexyldibenzothiophen-2-yl)-2-phenylbenzimidazole;1-(2,4-dicyclohexyldibenzothiophen-1-yl)-2-phenylbenzimidazole;1-(2,4-dicyclohexyldibenzothiophen-3-yl)-2-phenylbenzimidazole;tris(iridium)
CID 158469358
1-(2,4-dicyclohexyldibenzofuran-1-yl)-2-phenylimidazole;iridium
CID 58401045

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane?
The IUPAC name of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane (CID 160789650) is 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane.
What is the SMILES notation for 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane?
The canonical SMILES for 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane is C.C.C.CC(C)Cc1cc(CC(C)C)c2c(sc3ccccc32)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc(CC(C)C)c2sc3ccccc3c2c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc2c(sc3ccccc32)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1cc2sc3ccccc3c2c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc(C(C)C)c2c(sc3ccccc32)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc(C(C)C)c2sc3ccccc3c2c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2c(sc3ccccc32)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1cc2sc3ccccc3c2c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.c1ccc2c(c1)C[n+]1ccn(-c3c(C4CCCCC4)cc(C4CCCCC4)c4c3oc3ccccc34)c1-2.c1ccc2c(c1)C[n+]1ccn(-c3c(C4CCCCC4)cc(C4CCCCC4)c4oc5ccccc5c34)c1-2.
What is the InChIKey of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane?
The InChIKey is CZUCSQNWLMCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H35N2O.4C30H31N2S.4C28H27N2S.3CH4/c1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)33-31(27-17-9-10-18-30(27)37-33)32(28)36-20-19-35-22-25-15-7-8-16-26(25)34(35)36;1-3-11-23(12-4-1)28-21-29(24-13-5-2-6-14-24)32(33-31(28)27-17-9-10-18-30(27)37-33)36-20-19-35-22-25-15-7-8-16-26(25)34(35)36;1-19(2)15-22-17-23(16-20(3)4)29-27(25-11-7-8-12-26(25)33-29)28(22)32-14-13-31-18-21-9-5-6-10-24(21)30(31)32;1-19(2)15-22-17-23(16-20(3)4)28(29-27(22)25-11-7-8-12-26(25)33-29)32-14-13-31-18-21-9-5-6-10-24(21)30(31)32;1-19(2)15-22-17-25-24-11-7-8-12-27(24)33-29(25)26(16-20(3)4)28(22)32-14-13-31-18-21-9-5-6-10-23(21)30(31)32;1-19(2)15-22-17-27-28(24-11-7-8-12-26(24)33-27)25(16-20(3)4)29(22)32-14-13-31-18-21-9-5-6-10-23(21)30(31)32;1-17(2)22-15-23-21-11-7-8-12-24(21)31-27(23)25(18(3)4)26(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-23(18(3)4)27-25(21-11-7-8-12-24(21)31-27)26(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-23(18(3)4)26(27-25(22)21-11-7-8-12-24(21)31-27)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;1-17(2)22-15-24-26(21-11-7-8-12-23(21)31-24)25(18(3)4)27(22)30-14-13-29-16-19-9-5-6-10-20(19)28(29)30;;;/h2*7-10,15-21,23-24H,1-6,11-14,22H2;4*5-14,17,19-20H,15-16,18H2,1-4H3;4*5-15,17-18H,16H2,1-4H3;3*1H4/q10*+1;;;.
What are the key properties of 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane?
1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane has a molecular weight of 4524.52 g/mol, XLogP of 79.35, 38 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2-methylpropyl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-bis(2-methylpropyl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-bis(2-methylpropyl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-(1,3-dicyclohexyldibenzofuran-4-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-(2,4-dicyclohexyldibenzofuran-1-yl)-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-2-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-5H-imidazo[2,1-a]isoindol-4-ium;methane is sourced from PubChem (CID 160789650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).