1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium

C124H132N12O3S2Si5+6 — CID 159729812

IUPAC1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium
SMILESCc1ccc2c(c1-c1cncc[n+]1C)C(C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1C2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)Sc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)[Si](C)(C)c1ccccc1S2.Cc1ccc2c(c1-c1cncc[n+]1C)[Si](C)(C)c1ccccc1[Si]2(C)C
InChIInChI=1S/C22H27N2Si2.2C21H21N2O.C20H21N2OSi.2C20H21N2SSi/c1-16-11-12-20-22(21(16)17-15-23-13-14-24(17)2)26(5,6)19-10-8-7-9-18(19)25(20,3)4;1-14-9-10-18-20(19(14)16-13-22-11-12-23(16)4)21(2,3)15-7-5-6-8-17(15)24-18;1-14-9-10-16-20(19(14)17-13-22-11-12-23(17)4)24-18-8-6-5-7-15(18)21(16,2)3;1-14-9-10-18-20(19(14)15-13-21-11-12-22(15)2)23-16-7-5-6-8-17(16)24(18,3)4;1-14-9-10-17-20(19(14)15-13-21-11-12-22(15)2)24(3,4)18-8-6-5-7-16(18)23-17;1-14-9-10-18-20(19(14)15-13-21-11-12-22(15)2)23-16-7-5-6-8-17(16)24(18,3)4/h7-15H,1-6H3;5*5-13H,1-4H3/q6*+1
InChIKeyDPSKLXNJCICUAO-UHFFFAOYSA-N
MW2043.06 g/mol
LogP19.61
Rot. Bonds6

About 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium

1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium (PubChem CID 159729812) has the molecular formula C124H132N12O3S2Si5+6 and a molecular weight of 2043.06 g/mol. Its IUPAC name is 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium
PubChem CID159729812
Molecular FormulaC124H132N12O3S2Si5+6
Molecular Weight2043.06 g/mol
Exact Mass2040.88
IUPAC Name1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium
SMILESCc1ccc2c(c1-c1cncc[n+]1C)C(C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1C2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)Sc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)[Si](C)(C)c1ccccc1S2.Cc1ccc2c(c1-c1cncc[n+]1C)[Si](C)(C)c1ccccc1[Si]2(C)C
InChIInChI=1S/C22H27N2Si2.2C21H21N2O.C20H21N2OSi.2C20H21N2SSi/c1-16-11-12-20-22(21(16)17-15-23-13-14-24(17)2)26(5,6)19-10-8-7-9-18(19)25(20,3)4;1-14-9-10-18-20(19(14)16-13-22-11-12-23(16)4)21(2,3)15-7-5-6-8-17(15)24-18;1-14-9-10-16-20(19(14)17-13-22-11-12-23(17)4)24-18-8-6-5-7-15(18)21(16,2)3;1-14-9-10-18-20(19(14)15-13-21-11-12-22(15)2)23-16-7-5-6-8-17(16)24(18,3)4;1-14-9-10-17-20(19(14)15-13-21-11-12-22(15)2)24(3,4)18-8-6-5-7-16(18)23-17;1-14-9-10-18-20(19(14)15-13-21-11-12-22(15)2)23-16-7-5-6-8-17(16)24(18,3)4/h7-15H,1-6H3;5*5-13H,1-4H3/q6*+1
InChIKeyDPSKLXNJCICUAO-UHFFFAOYSA-N
XLogP19.61
TPSA128.31 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.06
LogP ≤ 519.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium with MolForge

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Related Compounds

1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyrazin-1-ium
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1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
CID 140839454
N-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-(9,9-dimethylxanthen-4-yl)phenoxathiin-1-amine
CID 123542124
N-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-9,9-dimethyl-N-thianthren-1-ylxanthen-4-amine
CID 123364850
4-[4-[4-(9,9-dimethylxanthen-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 174068734
3,9-dimethyl-4-(3-methyl-4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)-9-(trideuteriomethyl)xanthene;10,10-dimethyl-4-(4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)benzo[b][1,4]benzoxasiline;9,9-dimethyl-4-(4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)thioxanthene;10-methyl-4-(4-octacyclo[16.16.2.02,7.08,13.014,36.019,24.025,30.031,35]hexatriaconta-1(34),2(7),3,5,8,10,12,14,16,18(36),19,21,23,25,27,29,31(35),32-octadecaenyl)-10-(trideuteriomethyl)benzo[b][1,4]benzoxasiline
CID 158633340
1,4,5-trimethyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium
CID 140839635
8,10,10-trimethyl-9-(1-methylpyridin-1-ium-2-yl)-[1,4]benzothiasilino[3,2-b]pyridine
CID 140839644
N-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-dimethyl-N-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-1-yl)phenyl]indeno[1,2-a]oxanthren-10-amine
CID 123954499
4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-N-[4-(9,9-dimethylthioxanthen-4-yl)phenyl]-N-(4-phenoxathiin-1-ylphenyl)aniline
CID 123864613
2,9,9,10-tetramethyl-1-(1-methylpyrazin-1-ium-2-yl)acridine
CID 140839654
11-(3-dibenzothiophen-4-ylphenyl)-5,5,8,8-tetramethylindeno[2,1-c]xanthene;2,4-diphenyl-6-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-11-yl)-1,3,5-triazine;2-phenyl-1-[4-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzoxasilin-11-yl)phenyl]benzimidazole;9-(5,5,8,8-tetramethylfluoreno[4,3-b][1,4]benzothiasilin-11-yl)carbazole
CID 159313873

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium?
The IUPAC name of 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium (CID 159729812) is 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium.
What is the SMILES notation for 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium?
The canonical SMILES for 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium is Cc1ccc2c(c1-c1cncc[n+]1C)C(C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1C2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)Sc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cncc[n+]1C)[Si](C)(C)c1ccccc1S2.Cc1ccc2c(c1-c1cncc[n+]1C)[Si](C)(C)c1ccccc1[Si]2(C)C.
What is the InChIKey of 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium?
The InChIKey is DPSKLXNJCICUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N2Si2.2C21H21N2O.C20H21N2OSi.2C20H21N2SSi/c1-16-11-12-20-22(21(16)17-15-23-13-14-24(17)2)26(5,6)19-10-8-7-9-18(19)25(20,3)4;1-14-9-10-18-20(19(14)16-13-22-11-12-23(16)4)21(2,3)15-7-5-6-8-17(15)24-18;1-14-9-10-16-20(19(14)17-13-22-11-12-23(17)4)24-18-8-6-5-7-15(18)21(16,2)3;1-14-9-10-18-20(19(14)15-13-21-11-12-22(15)2)23-16-7-5-6-8-17(16)24(18,3)4;1-14-9-10-17-20(19(14)15-13-21-11-12-22(15)2)24(3,4)18-8-6-5-7-16(18)23-17;1-14-9-10-18-20(19(14)15-13-21-11-12-22(15)2)23-16-7-5-6-8-17(16)24(18,3)4/h7-15H,1-6H3;5*5-13H,1-4H3/q6*+1.
What are the key properties of 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium?
1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium has a molecular weight of 2043.06 g/mol, XLogP of 19.61, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,5,5,10,10-pentamethylsilanthren-1-yl)pyrazin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyrazin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyrazin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyrazin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyrazin-1-ium is sourced from PubChem (CID 159729812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).