2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium

C131H161N10+5 — CID 160519732

IUPAC2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium
SMILESCc1c(-c2c[n+](-c3c(C(C)C)cccc3C(C)C)c(-c3ccccc3)n2C)cccc1C(C)(C)C.Cc1c(-c2c[n+](-c3c(C(C)C)cccc3C(C)C)cn2C)cccc1C(C)(C)C.Cc1c(-c2cn(-c3ccccc3)c[n+]2C)cccc1C(C)(C)C.Cc1c(C(C)(C)C)ccc2c3ccccc3n(-c3cc(C(C)(C)C)cc[n+]3C)c12.Cc1c(C(C)(C)C)ccc2c3ccccc3n(-c3cccc[n+]3C)c12
InChIInChI=1S/C33H41N2.C27H33N2.C27H37N2.C23H25N2.C21H25N2/c1-22(2)26-17-13-18-27(23(3)4)31(26)35-21-30(34(9)32(35)25-15-11-10-12-16-25)28-19-14-20-29(24(28)5)33(6,7)8;1-18-22(27(5,6)7)14-13-21-20-11-9-10-12-23(20)29(25(18)21)24-17-19(26(2,3)4)15-16-28(24)8;1-18(2)21-12-10-13-22(19(3)4)26(21)29-16-25(28(9)17-29)23-14-11-15-24(20(23)5)27(6,7)8;1-16-19(23(2,3)4)14-13-18-17-10-6-7-11-20(17)25(22(16)18)21-12-8-9-15-24(21)5;1-16-18(12-9-13-19(16)21(2,3)4)20-14-23(15-22(20)5)17-10-7-6-8-11-17/h10-23H,1-9H3;9-17H,1-8H3;10-19H,1-9H3;6-15H,1-5H3;6-15H,1-5H3/q5*+1
InChIKeyYZKVKTJXYXUZRE-UHFFFAOYSA-N
MW1875.80 g/mol
LogP31.61
Rot. Bonds13

About 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium

2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium (PubChem CID 160519732) has the molecular formula C131H161N10+5 and a molecular weight of 1875.80 g/mol. Its IUPAC name is 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium.

Molecular Properties

Compound Name2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium
PubChem CID160519732
Molecular FormulaC131H161N10+5
Molecular Weight1875.80 g/mol
Exact Mass1874.29
IUPAC Name2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium
SMILESCc1c(-c2c[n+](-c3c(C(C)C)cccc3C(C)C)c(-c3ccccc3)n2C)cccc1C(C)(C)C.Cc1c(-c2c[n+](-c3c(C(C)C)cccc3C(C)C)cn2C)cccc1C(C)(C)C.Cc1c(-c2cn(-c3ccccc3)c[n+]2C)cccc1C(C)(C)C.Cc1c(C(C)(C)C)ccc2c3ccccc3n(-c3cc(C(C)(C)C)cc[n+]3C)c12.Cc1c(C(C)(C)C)ccc2c3ccccc3n(-c3cccc[n+]3C)c12
InChIInChI=1S/C33H41N2.C27H33N2.C27H37N2.C23H25N2.C21H25N2/c1-22(2)26-17-13-18-27(23(3)4)31(26)35-21-30(34(9)32(35)25-15-11-10-12-16-25)28-19-14-20-29(24(28)5)33(6,7)8;1-18-22(27(5,6)7)14-13-21-20-11-9-10-12-23(20)29(25(18)21)24-17-19(26(2,3)4)15-16-28(24)8;1-18(2)21-12-10-13-22(19(3)4)26(21)29-16-25(28(9)17-29)23-14-11-15-24(20(23)5)27(6,7)8;1-16-19(23(2,3)4)14-13-18-17-10-6-7-11-20(17)25(22(16)18)21-12-8-9-15-24(21)5;1-16-18(12-9-13-19(16)21(2,3)4)20-14-23(15-22(20)5)17-10-7-6-8-11-17/h10-23H,1-9H3;9-17H,1-8H3;10-19H,1-9H3;6-15H,1-5H3;6-15H,1-5H3/q5*+1
InChIKeyYZKVKTJXYXUZRE-UHFFFAOYSA-N
XLogP31.61
TPSA44.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001875.80
LogP ≤ 531.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 155769608
2-tert-butyl-9-[4-[2,6-di(propan-2-yl)phenyl]-1-methylpyridin-1-ium-2-yl]-1-methyl-6-phenylcarbazole
CID 155769642
2-tert-butyl-9-(4-carbazol-9-yl-1-methylpyridin-1-ium-2-yl)-1-methyl-6-phenylcarbazole
CID 155769690
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
2-[5-tert-butyl-3-(3-dibenzofuran-1-yl-2-methyl-2H-benzimidazol-1-yl)-2-methylphenoxy]-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole
CID 165150152
9-[3-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-4-methylphenyl]-1,8-diphenylcarbazole
CID 167400602
1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043
6-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 159902760
9-[4-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[5-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole
CID 158431142
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
3-(2-tert-butylphenyl)-9-phenylcarbazole
CID 165169210

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium?
The IUPAC name of 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium (CID 160519732) is 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium.
What is the SMILES notation for 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium?
The canonical SMILES for 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium is Cc1c(-c2c[n+](-c3c(C(C)C)cccc3C(C)C)c(-c3ccccc3)n2C)cccc1C(C)(C)C.Cc1c(-c2c[n+](-c3c(C(C)C)cccc3C(C)C)cn2C)cccc1C(C)(C)C.Cc1c(-c2cn(-c3ccccc3)c[n+]2C)cccc1C(C)(C)C.Cc1c(C(C)(C)C)ccc2c3ccccc3n(-c3cc(C(C)(C)C)cc[n+]3C)c12.Cc1c(C(C)(C)C)ccc2c3ccccc3n(-c3cccc[n+]3C)c12.
What is the InChIKey of 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium?
The InChIKey is YZKVKTJXYXUZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N2.C27H33N2.C27H37N2.C23H25N2.C21H25N2/c1-22(2)26-17-13-18-27(23(3)4)31(26)35-21-30(34(9)32(35)25-15-11-10-12-16-25)28-19-14-20-29(24(28)5)33(6,7)8;1-18-22(27(5,6)7)14-13-21-20-11-9-10-12-23(20)29(25(18)21)24-17-19(26(2,3)4)15-16-28(24)8;1-18(2)21-12-10-13-22(19(3)4)26(21)29-16-25(28(9)17-29)23-14-11-15-24(20(23)5)27(6,7)8;1-16-19(23(2,3)4)14-13-18-17-10-6-7-11-20(17)25(22(16)18)21-12-8-9-15-24(21)5;1-16-18(12-9-13-19(16)21(2,3)4)20-14-23(15-22(20)5)17-10-7-6-8-11-17/h10-23H,1-9H3;9-17H,1-8H3;10-19H,1-9H3;6-15H,1-5H3;6-15H,1-5H3/q5*+1.
What are the key properties of 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium?
2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium has a molecular weight of 1875.80 g/mol, XLogP of 31.61, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-1-methylcarbazole;2-tert-butyl-1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-phenylimidazol-1-ium;4-(3-tert-butyl-2-methylphenyl)-3-methyl-1-phenylimidazol-3-ium is sourced from PubChem (CID 160519732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).