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

C128H132N8+4 — CID 157192206

IUPAC1-[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
SMILESCC(C)Cc1c(-c2ccccc2)cc(-c2ccccc2)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1ccc(-c2ccccc2)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1c(-c2ccccc2)cc(-c2ccccc2)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1ccc(-c2ccccc2)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2
InChIInChI=1S/C36H37N2.C34H33N2.C30H33N2.C28H29N2/c1-25(2)21-33-31(27-13-7-5-8-14-27)23-32(28-15-9-6-10-16-28)34(22-26(3)4)35(33)38-20-19-37-24-29-17-11-12-18-30(29)36(37)38;1-23(2)31-29(25-13-7-5-8-14-25)21-30(26-15-9-6-10-16-26)32(24(3)4)33(31)36-20-19-35-22-27-17-11-12-18-28(27)34(35)36;1-21(2)18-24-14-15-26(23-10-6-5-7-11-23)28(19-22(3)4)29(24)32-17-16-31-20-25-12-8-9-13-27(25)30(31)32;1-19(2)23-14-15-24(21-10-6-5-7-11-21)26(20(3)4)27(23)30-17-16-29-18-22-12-8-9-13-25(22)28(29)30/h5-20,23,25-26H,21-22,24H2,1-4H3;5-21,23-24H,22H2,1-4H3;5-17,21-22H,18-20H2,1-4H3;5-17,19-20H,18H2,1-4H3/q4*+1
InChIKeyJWKLHNDBRKRUCT-UHFFFAOYSA-N
MW1782.52 g/mol
LogP30.46
Rot. Bonds22

About 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

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 (PubChem CID 157192206) has the molecular formula C128H132N8+4 and a molecular weight of 1782.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157192206
Molecular FormulaC128H132N8+4
Molecular Weight1782.52 g/mol
Exact Mass1781.06
IUPAC Name1-[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
SMILESCC(C)Cc1c(-c2ccccc2)cc(-c2ccccc2)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1ccc(-c2ccccc2)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1c(-c2ccccc2)cc(-c2ccccc2)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1ccc(-c2ccccc2)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2
InChIInChI=1S/C36H37N2.C34H33N2.C30H33N2.C28H29N2/c1-25(2)21-33-31(27-13-7-5-8-14-27)23-32(28-15-9-6-10-16-28)34(22-26(3)4)35(33)38-20-19-37-24-29-17-11-12-18-30(29)36(37)38;1-23(2)31-29(25-13-7-5-8-14-25)21-30(26-15-9-6-10-16-26)32(24(3)4)33(31)36-20-19-35-22-27-17-11-12-18-28(27)34(35)36;1-21(2)18-24-14-15-26(23-10-6-5-7-11-23)28(19-22(3)4)29(24)32-17-16-31-20-25-12-8-9-13-27(25)30(31)32;1-19(2)23-14-15-24(21-10-6-5-7-11-21)26(20(3)4)27(23)30-17-16-29-18-22-12-8-9-13-25(22)28(29)30/h5-20,23,25-26H,21-22,24H2,1-4H3;5-21,23-24H,22H2,1-4H3;5-17,21-22H,18-20H2,1-4H3;5-17,19-20H,18H2,1-4H3/q4*+1
InChIKeyJWKLHNDBRKRUCT-UHFFFAOYSA-N
XLogP30.46
TPSA35.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001782.52
LogP ≤ 530.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-(2,6-diethyl-4-phenylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium
CID 158108447
1-(2,6-diethyl-3,5-diphenylphenyl)-2-phenylimidazole;1-(2,6-diethyl-3-phenylphenyl)-2-phenylimidazole;1-[3,5-diphenyl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tetrakis(iridium);2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 158528465
1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-2-phenylimidazole
CID 58175677
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
4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-9-methyl-1,3-di(propan-2-yl)carbazole
CID 159928089
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-(4-methoxy-2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium
CID 58113536
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
1-(2,6-diphenyl-4-propan-2-ylphenyl)-8-fluoro-5,6-dihydroimidazo[2,1-a]isoquinolin-4-ium
CID 123227534
1-[2,6-bis(2-methylpropyl)-4-phenylphenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 123883372
2-(2-methylpropyl)-9-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 143814703
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1c(-c2ccccc2)cc(-c2ccccc2)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)Cc1ccc(-c2ccccc2)c(CC(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1c(-c2ccccc2)cc(-c2ccccc2)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.CC(C)c1ccc(-c2ccccc2)c(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.
What is the InChIKey of 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?
The InChIKey is JWKLHNDBRKRUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N2.C34H33N2.C30H33N2.C28H29N2/c1-25(2)21-33-31(27-13-7-5-8-14-27)23-32(28-15-9-6-10-16-28)34(22-26(3)4)35(33)38-20-19-37-24-29-17-11-12-18-30(29)36(37)38;1-23(2)31-29(25-13-7-5-8-14-25)21-30(26-15-9-6-10-16-26)32(24(3)4)33(31)36-20-19-35-22-27-17-11-12-18-28(27)34(35)36;1-21(2)18-24-14-15-26(23-10-6-5-7-11-23)28(19-22(3)4)29(24)32-17-16-31-20-25-12-8-9-13-27(25)30(31)32;1-19(2)23-14-15-24(21-10-6-5-7-11-21)26(20(3)4)27(23)30-17-16-29-18-22-12-8-9-13-25(22)28(29)30/h5-20,23,25-26H,21-22,24H2,1-4H3;5-21,23-24H,22H2,1-4H3;5-17,21-22H,18-20H2,1-4H3;5-17,19-20H,18H2,1-4H3/q4*+1.
What are the key properties of 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?
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 has a molecular weight of 1782.52 g/mol, XLogP of 30.46, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157192206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).