1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium

C30H36N+ — CID 140944337

IUPAC1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1c(C)cc(C)c(-c3cc4c(cc3C)CCCC4)[n+]1C)CCCC2
InChIInChI=1S/C30H36N/c1-19-15-23-10-6-8-12-25(23)17-27(19)29-21(3)14-22(4)30(31(29)5)28-18-26-13-9-7-11-24(26)16-20(28)2/h14-18H,6-13H2,1-5H3/q+1
InChIKeyHEWSYHBSCXABTH-UHFFFAOYSA-N
MW410.63 g/mol
LogP6.84
Rot. Bonds2

About 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium

1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium (PubChem CID 140944337) has the molecular formula C30H36N+ and a molecular weight of 410.63 g/mol. Its IUPAC name is 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
PubChem CID140944337
Molecular FormulaC30H36N+
Molecular Weight410.63 g/mol
Exact Mass410.28
IUPAC Name1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1c(C)cc(C)c(-c3cc4c(cc3C)CCCC4)[n+]1C)CCCC2
InChIInChI=1S/C30H36N/c1-19-15-23-10-6-8-12-25(23)17-27(19)29-21(3)14-22(4)30(31(29)5)28-18-26-13-9-7-11-24(26)16-20(28)2/h14-18H,6-13H2,1-5H3/q+1
InChIKeyHEWSYHBSCXABTH-UHFFFAOYSA-N
XLogP6.84
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.63
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium with MolForge

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Related Compounds

2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)-6-(2-methylpropyl)isoquinolin-2-ium
CID 155638766
3-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 12835985
4-(2,2-dimethylpropyl)-1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 177075119
1-methyl-2-(6-methyl-2,3-dihydro-1H-inden-5-yl)-5-propan-2-ylpyridin-1-ium
CID 177074930
2-(2,5-dimethylphenyl)-1,3,5,6-tetramethylpyridin-1-ium
CID 168843060
1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 158838637
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 158838636
4-deuterio-1-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 159204975
5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
CID 140602507
1-(5-tert-butyl-2,3-dimethylphenyl)-2,3-dimethyl-7,8-dihydro-6H-cyclopenta[g]isoquinolin-2-ium
CID 158455772

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
The IUPAC name of 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium (CID 140944337) is 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium.
What is the SMILES notation for 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
The canonical SMILES for 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium is Cc1cc2c(cc1-c1c(C)cc(C)c(-c3cc4c(cc3C)CCCC4)[n+]1C)CCCC2.
What is the InChIKey of 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
The InChIKey is HEWSYHBSCXABTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N/c1-19-15-23-10-6-8-12-25(23)17-27(19)29-21(3)14-22(4)30(31(29)5)28-18-26-13-9-7-11-24(26)16-20(28)2/h14-18H,6-13H2,1-5H3/q+1.
What are the key properties of 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium?
1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium has a molecular weight of 410.63 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2,6-bis(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium is sourced from PubChem (CID 140944337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).