1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium

C147H148N7O6S2Si4+7 — CID 157458353

IUPAC1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1C2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)Sc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1S2
InChIInChI=1S/2C22H22NO.2C21H22NOSi.2C21H22NSSi.C19H16NO2/c1-15-12-13-17-21(20(15)18-10-7-8-14-23(18)4)24-19-11-6-5-9-16(19)22(17,2)3;1-15-12-13-19-21(20(15)17-10-7-8-14-23(17)4)22(2,3)16-9-5-6-11-18(16)24-19;1-15-12-13-18-21(20(15)16-9-7-8-14-22(16)2)24(3,4)19-11-6-5-10-17(19)23-18;1-15-12-13-19-21(20(15)16-9-7-8-14-22(16)2)23-17-10-5-6-11-18(17)24(19,3)4;1-15-12-13-18-21(20(15)16-9-7-8-14-22(16)2)24(3,4)19-11-6-5-10-17(19)23-18;1-15-12-13-19-21(20(15)16-9-7-8-14-22(16)2)23-17-10-5-6-11-18(17)24(19,3)4;1-13-10-11-17-19(18(13)14-7-5-6-12-20(14)2)22-16-9-4-3-8-15(16)21-17/h6*5-14H,1-4H3;3-12H,1-2H3/q7*+1
InChIKeyTXYCYABHMDZYJX-UHFFFAOYSA-N
MW2285.32 g/mol
LogP28.60
Rot. Bonds7

About 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium

1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium (PubChem CID 157458353) has the molecular formula C147H148N7O6S2Si4+7 and a molecular weight of 2285.32 g/mol. Its IUPAC name is 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
PubChem CID157458353
Molecular FormulaC147H148N7O6S2Si4+7
Molecular Weight2285.32 g/mol
Exact Mass2283.00
IUPAC Name1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1C2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)Sc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1S2
InChIInChI=1S/2C22H22NO.2C21H22NOSi.2C21H22NSSi.C19H16NO2/c1-15-12-13-17-21(20(15)18-10-7-8-14-23(18)4)24-19-11-6-5-9-16(19)22(17,2)3;1-15-12-13-19-21(20(15)17-10-7-8-14-23(17)4)22(2,3)16-9-5-6-11-18(16)24-19;1-15-12-13-18-21(20(15)16-9-7-8-14-22(16)2)24(3,4)19-11-6-5-10-17(19)23-18;1-15-12-13-19-21(20(15)16-9-7-8-14-22(16)2)23-17-10-5-6-11-18(17)24(19,3)4;1-15-12-13-18-21(20(15)16-9-7-8-14-22(16)2)24(3,4)19-11-6-5-10-17(19)23-18;1-15-12-13-19-21(20(15)16-9-7-8-14-22(16)2)23-17-10-5-6-11-18(17)24(19,3)4;1-13-10-11-17-19(18(13)14-7-5-6-12-20(14)2)22-16-9-4-3-8-15(16)21-17/h6*5-14H,1-4H3;3-12H,1-2H3/q7*+1
InChIKeyTXYCYABHMDZYJX-UHFFFAOYSA-N
XLogP28.60
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002285.32
LogP ≤ 528.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium (CID 157458353) is 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium is Cc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1C2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)Sc1ccccc1[Si]2(C)C.Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1O2.Cc1ccc2c(c1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1S2.
What is the InChIKey of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium?
The InChIKey is TXYCYABHMDZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22NO.2C21H22NOSi.2C21H22NSSi.C19H16NO2/c1-15-12-13-17-21(20(15)18-10-7-8-14-23(18)4)24-19-11-6-5-9-16(19)22(17,2)3;1-15-12-13-19-21(20(15)17-10-7-8-14-23(17)4)22(2,3)16-9-5-6-11-18(16)24-19;1-15-12-13-18-21(20(15)16-9-7-8-14-22(16)2)24(3,4)19-11-6-5-10-17(19)23-18;1-15-12-13-19-21(20(15)16-9-7-8-14-22(16)2)23-17-10-5-6-11-18(17)24(19,3)4;1-15-12-13-18-21(20(15)16-9-7-8-14-22(16)2)24(3,4)19-11-6-5-10-17(19)23-18;1-15-12-13-19-21(20(15)16-9-7-8-14-22(16)2)23-17-10-5-6-11-18(17)24(19,3)4;1-13-10-11-17-19(18(13)14-7-5-6-12-20(14)2)22-16-9-4-3-8-15(16)21-17/h6*5-14H,1-4H3;3-12H,1-2H3/q7*+1.
What are the key properties of 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium?
1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium has a molecular weight of 2285.32 g/mol, XLogP of 28.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyldibenzo-p-dioxin-1-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzothiasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-4-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-1-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium is sourced from PubChem (CID 157458353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).