1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium

C26H36N+ — CID 140720316

IUPAC1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C1(C)C(C)(C)C(C)(C)C2(C)C1(C)C
InChIInChI=1S/C26H36N/c1-17-15-19-20(16-18(17)21-13-11-12-14-27(21)10)26(9)23(4,5)22(2,3)25(19,8)24(26,6)7/h11-16H,1-10H3/q+1
InChIKeyNKJZHYVYKNUOIV-UHFFFAOYSA-N
MW362.58 g/mol
LogP6.11
Rot. Bonds1

About 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium

1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium (PubChem CID 140720316) has the molecular formula C26H36N+ and a molecular weight of 362.58 g/mol. Its IUPAC name is 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
PubChem CID140720316
Molecular FormulaC26H36N+
Molecular Weight362.58 g/mol
Exact Mass362.28
IUPAC Name1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C1(C)C(C)(C)C(C)(C)C2(C)C1(C)C
InChIInChI=1S/C26H36N/c1-17-15-19-20(16-18(17)21-13-11-12-14-27(21)10)26(9)23(4,5)22(2,3)25(19,8)24(26,6)7/h11-16H,1-10H3/q+1
InChIKeyNKJZHYVYKNUOIV-UHFFFAOYSA-N
XLogP6.11
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.58
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium with MolForge

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Related Compounds

1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
CID 157243436
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
CID 162062988
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)-1,5-dimethylpyridin-1-ium
CID 177075003
2-(4-isocyano-2-methylphenyl)-1-methylpyridin-1-ium
CID 176621919
2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 167365761
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-(5-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium (CID 140720316) is 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)C1(C)C(C)(C)C(C)(C)C2(C)C1(C)C.
What is the InChIKey of 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium?
The InChIKey is NKJZHYVYKNUOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N/c1-17-15-19-20(16-18(17)21-13-11-12-14-27(21)10)26(9)23(4,5)22(2,3)25(19,8)24(26,6)7/h11-16H,1-10H3/q+1.
What are the key properties of 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium?
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium has a molecular weight of 362.58 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium is sourced from PubChem (CID 140720316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).