1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium

C28H30NY- — CID 140940687

IUPAC1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
SMILES[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)C(C)(C)C(C)(C)[C-]=C3c2[c-]cccc2)[n+](C)c1.[Y]
InChIInChI=1S/C28H30N.Y/c1-19-13-14-26(29(7)18-19)22-16-23-24(21-11-9-8-10-12-21)17-27(3,4)28(5,6)25(23)15-20(22)2;/h8-11,13-16,18H,1-7H3;/q-1;/i1D3;
InChIKeyNBVTZMFYSTXLTO-NIIDSAIPSA-N
MW472.48 g/mol
LogP6.14
Rot. Bonds3

About 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium

1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium (PubChem CID 140940687) has the molecular formula C28H30NY- and a molecular weight of 472.48 g/mol. Its IUPAC name is 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium.

Molecular Properties

Compound Name1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
PubChem CID140940687
Molecular FormulaC28H30NY-
Molecular Weight472.48 g/mol
Exact Mass472.16
IUPAC Name1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
SMILES[2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)C(C)(C)C(C)(C)[C-]=C3c2[c-]cccc2)[n+](C)c1.[Y]
InChIInChI=1S/C28H30N.Y/c1-19-13-14-26(29(7)18-19)22-16-23-24(21-11-9-8-10-12-21)17-27(3,4)28(5,6)25(23)15-20(22)2;/h8-11,13-16,18H,1-7H3;/q-1;/i1D3;
InChIKeyNBVTZMFYSTXLTO-NIIDSAIPSA-N
XLogP6.14
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(2,9,9,10,10-pentamethyl-6-phenyl-7H-phenanthren-7-id-1-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium
CID 140940716
1-methyl-2-(2,11,11,12,12-pentamethylchrysen-3-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140940624
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)-1,5-dimethylpyridin-1-ium
CID 177075003
2-[5-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-2-methyl-4-(trideuteriomethyl)phenyl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 166503326
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
2-(5-tert-butyl-4-fluoro-2-methylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 167365495
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 167346400
4-[4-methyl-5-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-(trideuteriomethyl)phenyl]benzonitrile
CID 166043921
7-[5-(4-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-6,9,9-trimethylindeno[2,1-b]pyridine;6,9,9-trimethyl-7-[1-methyl-5-(4-methylphenyl)pyridin-1-ium-2-yl]indeno[2,1-b]pyridine;6,9,9-trimethyl-7-[1-methyl-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium-2-yl]indeno[2,1-b]pyridine
CID 161198205
1,5-dimethyl-2-(2-methyl-4-phenylphenyl)pyridin-1-ium
CID 58240297
1,5-dimethyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1,4-dimethyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,5-dimethyl-4-phenylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-(2-methyl-5-phenylphenyl)pyridin-1-ium
CID 159214991

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
The IUPAC name of 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium (CID 140940687) is 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium.
What is the SMILES notation for 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
The canonical SMILES for 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium is [2H]C([2H])([2H])c1ccc(-c2cc3c(cc2C)C(C)(C)C(C)(C)[C-]=C3c2[c-]cccc2)[n+](C)c1.[Y].
What is the InChIKey of 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
The InChIKey is NBVTZMFYSTXLTO-NIIDSAIPSA-N. The full InChI is InChI=1S/C28H30N.Y/c1-19-13-14-26(29(7)18-19)22-16-23-24(21-11-9-8-10-12-21)17-27(3,4)28(5,6)25(23)15-20(22)2;/h8-11,13-16,18H,1-7H3;/q-1;/i1D3;.
What are the key properties of 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium?
1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium has a molecular weight of 472.48 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,5,5,6,6-pentamethyl-8-phenyl-7H-naphthalen-7-id-2-yl)-5-(trideuteriomethyl)pyridin-1-ium;yttrium is sourced from PubChem (CID 140940687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).