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

C88H89N6+3 — CID 158431142

IUPAC9-[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
SMILESCc1c[n+](C)c(-n2c3ccccc3c3cccc(C)c32)cc1-c1c(C(C)C)cccc1C(C)C.Cc1c[n+](C)c(-n2c3ccccc3c3cccc(C)c32)cc1-c1c(C)cccc1C.Cc1cc(-n2c3ccccc3c3cccc(C)c32)[n+](C)cc1-c1c(C)cccc1C
InChIInChI=1S/C32H35N2.2C28H27N2/c1-20(2)24-14-11-15-25(21(3)4)31(24)28-18-30(33(7)19-23(28)6)34-29-17-9-8-13-26(29)27-16-10-12-22(5)32(27)34;1-18-10-8-11-19(2)27(18)24-16-26(29(5)17-21(24)4)30-25-15-7-6-13-22(25)23-14-9-12-20(3)28(23)30;1-18-10-8-11-19(2)27(18)24-17-29(5)26(16-21(24)4)30-25-15-7-6-13-22(25)23-14-9-12-20(3)28(23)30/h8-21H,1-7H3;2*6-17H,1-5H3/q3*+1
InChIKeyNKDSUMKPABCCRE-UHFFFAOYSA-N
MW1230.72 g/mol
LogP21.16
Rot. Bonds8

About 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

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 (PubChem CID 158431142) has the molecular formula C88H89N6+3 and a molecular weight of 1230.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158431142
Molecular FormulaC88H89N6+3
Molecular Weight1230.72 g/mol
Exact Mass1229.71
IUPAC Name9-[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
SMILESCc1c[n+](C)c(-n2c3ccccc3c3cccc(C)c32)cc1-c1c(C(C)C)cccc1C(C)C.Cc1c[n+](C)c(-n2c3ccccc3c3cccc(C)c32)cc1-c1c(C)cccc1C.Cc1cc(-n2c3ccccc3c3cccc(C)c32)[n+](C)cc1-c1c(C)cccc1C
InChIInChI=1S/C32H35N2.2C28H27N2/c1-20(2)24-14-11-15-25(21(3)4)31(24)28-18-30(33(7)19-23(28)6)34-29-17-9-8-13-26(29)27-16-10-12-22(5)32(27)34;1-18-10-8-11-19(2)27(18)24-16-26(29(5)17-21(24)4)30-25-15-7-6-13-22(25)23-14-9-12-20(3)28(23)30;1-18-10-8-11-19(2)27(18)24-17-29(5)26(16-21(24)4)30-25-15-7-6-13-22(25)23-14-9-12-20(3)28(23)30/h8-21H,1-7H3;2*6-17H,1-5H3/q3*+1
InChIKeyNKDSUMKPABCCRE-UHFFFAOYSA-N
XLogP21.16
TPSA26.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.72
LogP ≤ 521.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
4-methyl-5-(1-methylcarbazol-9-yl)-4-azoniapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 176845178
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 160817149
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
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-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethylcarbazol-2-ol
CID 160527495
2-tert-butyl-9-[4-[2,6-di(propan-2-yl)phenyl]-1-methylpyridin-1-ium-2-yl]-1-methyl-6-phenylcarbazole
CID 155769642
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline
CID 146198028
11-(4-tert-butyl-1-methylpyridin-1-ium-2-yl)-9-methyl-11-azaheptacyclo[13.6.6.02,14.04,12.05,10.016,21.022,27]heptacosa-2(14),3,5,7,9,12,16,18,20,22,24,26-dodecaene
CID 176845147
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c[n+](C)c(-n2c3ccccc3c3cccc(C)c32)cc1-c1c(C(C)C)cccc1C(C)C.Cc1c[n+](C)c(-n2c3ccccc3c3cccc(C)c32)cc1-c1c(C)cccc1C.Cc1cc(-n2c3ccccc3c3cccc(C)c32)[n+](C)cc1-c1c(C)cccc1C.
What is the InChIKey of 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?
The InChIKey is NKDSUMKPABCCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N2.2C28H27N2/c1-20(2)24-14-11-15-25(21(3)4)31(24)28-18-30(33(7)19-23(28)6)34-29-17-9-8-13-26(29)27-16-10-12-22(5)32(27)34;1-18-10-8-11-19(2)27(18)24-16-26(29(5)17-21(24)4)30-25-15-7-6-13-22(25)23-14-9-12-20(3)28(23)30;1-18-10-8-11-19(2)27(18)24-17-29(5)26(16-21(24)4)30-25-15-7-6-13-22(25)23-14-9-12-20(3)28(23)30/h8-21H,1-7H3;2*6-17H,1-5H3/q3*+1.
What are the key properties of 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?
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 has a molecular weight of 1230.72 g/mol, XLogP of 21.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158431142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).