methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane

C31H38N2Si+2 — CID 168787602

IUPACmethyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane
SMILESCc1ccccc1C(C)(C)c1cccc(C[Si](C)(c2ccccc2C)c2cccc[n+]2C)[n+]1C
InChIInChI=1S/C31H38N2Si/c1-24-15-8-10-18-27(24)31(3,4)29-20-14-17-26(33(29)6)23-34(7,28-19-11-9-16-25(28)2)30-21-12-13-22-32(30)5/h8-22H,23H2,1-7H3/q+2
InChIKeyALBGOXVDSRHJES-UHFFFAOYSA-N
MW466.75 g/mol
LogP4.25
Rot. Bonds6

About methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane

methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane (PubChem CID 168787602) has the molecular formula C31H38N2Si+2 and a molecular weight of 466.75 g/mol. Its IUPAC name is methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane.

Molecular Properties

Compound Namemethyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane
PubChem CID168787602
Molecular FormulaC31H38N2Si+2
Molecular Weight466.75 g/mol
Exact Mass466.28
IUPAC Namemethyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane
SMILESCc1ccccc1C(C)(C)c1cccc(C[Si](C)(c2ccccc2C)c2cccc[n+]2C)[n+]1C
InChIInChI=1S/C31H38N2Si/c1-24-15-8-10-18-27(24)31(3,4)29-20-14-17-26(33(29)6)23-34(7,28-19-11-9-16-25(28)2)30-21-12-13-22-32(30)5/h8-22H,23H2,1-7H3/q+2
InChIKeyALBGOXVDSRHJES-UHFFFAOYSA-N
XLogP4.25
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methyl-2-[2-(6-methyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-2-(1-methylpyridin-1-ium-2-yl)propyl]-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium
CID 168787623
2-[bis(2-methylphenyl)-phenylmethyl]-1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 153276076
2-methyl-3-[2-methyl-3-[2-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]propan-2-yl]phenyl]isoquinolin-2-ium
CID 123315659
magnesium;hydride;trimethyl-(1-methylpyridin-1-ium-2-yl)silane;iodide
CID 174896070
1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
2-(2-chloroethyl)-1-methylpyridin-1-ium iodide
CID 10826863
2-methyl-1-[2-methyl-3-[1-(2-methylphenyl)-1-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl]isoquinolin-2-ium
CID 153276028
N-[2-[2-(1-methylpyridin-1-ium-2-yl)propan-2-yl]phenyl]formamide
CID 86734322
1-methyl-2-[1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1-(1-methylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium
CID 153276035
2-(3-ethylpentan-3-yl)-1-methyl-6-(2-methylphenyl)pyridin-1-ium
CID 164777855
tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane
CID 139102151
2-butyl-1-methylpyridin-1-ium chloride
CID 66655977

Frequently Asked Questions

What is the IUPAC name of methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane?
The IUPAC name of methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane (CID 168787602) is methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane.
What is the SMILES notation for methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane?
The canonical SMILES for methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane is Cc1ccccc1C(C)(C)c1cccc(C[Si](C)(c2ccccc2C)c2cccc[n+]2C)[n+]1C.
What is the InChIKey of methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane?
The InChIKey is ALBGOXVDSRHJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2Si/c1-24-15-8-10-18-27(24)31(3,4)29-20-14-17-26(33(29)6)23-34(7,28-19-11-9-16-25(28)2)30-21-12-13-22-32(30)5/h8-22H,23H2,1-7H3/q+2.
What are the key properties of methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane?
methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane has a molecular weight of 466.75 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[1-methyl-6-[2-(2-methylphenyl)propan-2-yl]pyridin-1-ium-2-yl]methyl]-(2-methylphenyl)-(1-methylpyridin-1-ium-2-yl)silane is sourced from PubChem (CID 168787602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).