1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium

C23H26NOSi+ — CID 158756758

IUPAC1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium
SMILES[2H]C([2H])([2H])c1cc(-c2cc3c(cc2C)Oc2ccccc2[Si]3(C)C)[n+](C)cc1C
InChIInChI=1S/C23H26NOSi/c1-15-11-19(24(4)14-17(15)3)18-13-23-21(12-16(18)2)25-20-9-7-8-10-22(20)26(23,5)6/h7-14H,1-6H3/q+1/i1D3
InChIKeyMKCSHHVSQYCBAS-FIBGUPNXSA-N
MW363.57 g/mol
LogP4.03
Rot. Bonds2

About 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium

1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium (PubChem CID 158756758) has the molecular formula C23H26NOSi+ and a molecular weight of 363.57 g/mol. Its IUPAC name is 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium
PubChem CID158756758
Molecular FormulaC23H26NOSi+
Molecular Weight363.57 g/mol
Exact Mass363.20
IUPAC Name1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium
SMILES[2H]C([2H])([2H])c1cc(-c2cc3c(cc2C)Oc2ccccc2[Si]3(C)C)[n+](C)cc1C
InChIInChI=1S/C23H26NOSi/c1-15-11-19(24(4)14-17(15)3)18-13-23-21(12-16(18)2)25-20-9-7-8-10-22(20)26(23,5)6/h7-14H,1-6H3/q+1/i1D3
InChIKeyMKCSHHVSQYCBAS-FIBGUPNXSA-N
XLogP4.03
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium
CID 140839635
1-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 155773454
2-(2,4-dimethyl-5-phenylphenyl)-1,4,5-trimethylpyridin-1-ium;1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 160952437
2-[5-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-2-methyl-4-(trideuteriomethyl)phenyl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 166503326
1,4-dimethyl-5-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium
CID 157470173
1-methyl-2-[2-methyl-5-(5,5,6,6,7,7,8,8-octafluoronaphthalen-1-yl)-4-(trideuteriomethyl)phenyl]-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 165383701
4-methyl-5-[1-methyl-4,5-bis(trideuteriomethyl)pyridin-1-ium-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 165161149
4-[2,6-bis(trideuteriomethyl)phenyl]-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140920631
[1,4-dimethyl-6-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium-3-yl]-trimethylsilane
CID 163545923
trimethyl-[1-methyl-6-[2-methyl-4,5-bis(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium-3-yl]germane
CID 172534984
1,4-dimethyl-2-[2-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 160748042
1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyrazin-1-ium
CID 140839431

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium?
The IUPAC name of 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium (CID 158756758) is 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium is [2H]C([2H])([2H])c1cc(-c2cc3c(cc2C)Oc2ccccc2[Si]3(C)C)[n+](C)cc1C.
What is the InChIKey of 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium?
The InChIKey is MKCSHHVSQYCBAS-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H26NOSi/c1-15-11-19(24(4)14-17(15)3)18-13-23-21(12-16(18)2)25-20-9-7-8-10-22(20)26(23,5)6/h7-14H,1-6H3/q+1/i1D3.
What are the key properties of 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium?
1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium has a molecular weight of 363.57 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(trideuteriomethyl)-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium is sourced from PubChem (CID 158756758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).