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

C151H154N7O6SSi3+7 — CID 157334904

IUPAC1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1C2(C)C.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1cc2c(cc1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1S2.Cc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C25H28N.2C22H22NO.2C21H22NOSi.C21H22NSSi.C19H16NO2/c1-17-14-15-20-23(22(17)21-13-9-10-16-26(21)6)25(4,5)19-12-8-7-11-18(19)24(20,2)3;1-15-13-21-18(14-16(15)19-10-7-8-12-23(19)4)22(2,3)17-9-5-6-11-20(17)24-21;1-15-13-18-21(14-16(15)19-10-7-8-12-23(19)4)24-20-11-6-5-9-17(20)22(18,2)3;1-15-13-21-19(14-16(15)17-9-7-8-12-22(17)2)23-18-10-5-6-11-20(18)24(21,3)4;2*1-15-13-19-21(14-16(15)17-9-7-8-12-22(17)2)24(3,4)20-11-6-5-10-18(20)23-19;1-13-11-18-19(22-17-9-4-3-8-16(17)21-18)12-14(13)15-7-5-6-10-20(15)2/h7-16H,1-6H3;5*5-14H,1-4H3;3-12H,1-2H3/q7*+1
InChIKeyMHYCBFXSLMZZNQ-UHFFFAOYSA-N
MW2279.26 g/mol
LogP30.28
Rot. Bonds7

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

1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium (PubChem CID 157334904) has the molecular formula C151H154N7O6SSi3+7 and a molecular weight of 2279.26 g/mol. Its IUPAC name is 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium
PubChem CID157334904
Molecular FormulaC151H154N7O6SSi3+7
Molecular Weight2279.26 g/mol
Exact Mass2277.10
IUPAC Name1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1C2(C)C.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1cc2c(cc1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1S2.Cc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1ccccc1C2(C)C
InChIInChI=1S/C25H28N.2C22H22NO.2C21H22NOSi.C21H22NSSi.C19H16NO2/c1-17-14-15-20-23(22(17)21-13-9-10-16-26(21)6)25(4,5)19-12-8-7-11-18(19)24(20,2)3;1-15-13-21-18(14-16(15)19-10-7-8-12-23(19)4)22(2,3)17-9-5-6-11-20(17)24-21;1-15-13-18-21(14-16(15)19-10-7-8-12-23(19)4)24-20-11-6-5-9-17(20)22(18,2)3;1-15-13-21-19(14-16(15)17-9-7-8-12-22(17)2)23-18-10-5-6-11-20(18)24(21,3)4;2*1-15-13-19-21(14-16(15)17-9-7-8-12-22(17)2)24(3,4)20-11-6-5-10-18(20)23-19;1-13-11-18-19(22-17-9-4-3-8-16(17)21-18)12-14(13)15-7-5-6-10-20(15)2/h7-16H,1-6H3;5*5-14H,1-4H3;3-12H,1-2H3/q7*+1
InChIKeyMHYCBFXSLMZZNQ-UHFFFAOYSA-N
XLogP30.28
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002279.26
LogP ≤ 530.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium (CID 157334904) is 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1C2(C)C.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)Oc1ccccc1[Si]2(C)C.Cc1cc2c(cc1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1O2.Cc1cc2c(cc1-c1cccc[n+]1C)[Si](C)(C)c1ccccc1S2.Cc1ccc2c(c1-c1cccc[n+]1C)C(C)(C)c1ccccc1C2(C)C.
What is the InChIKey of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium?
The InChIKey is MHYCBFXSLMZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N.2C22H22NO.2C21H22NOSi.C21H22NSSi.C19H16NO2/c1-17-14-15-20-23(22(17)21-13-9-10-16-26(21)6)25(4,5)19-12-8-7-11-18(19)24(20,2)3;1-15-13-21-18(14-16(15)19-10-7-8-12-23(19)4)22(2,3)17-9-5-6-11-20(17)24-21;1-15-13-18-21(14-16(15)19-10-7-8-12-23(19)4)24-20-11-6-5-9-17(20)22(18,2)3;1-15-13-21-19(14-16(15)17-9-7-8-12-22(17)2)23-18-10-5-6-11-20(18)24(21,3)4;2*1-15-13-19-21(14-16(15)17-9-7-8-12-22(17)2)24(3,4)20-11-6-5-10-18(20)23-19;1-13-11-18-19(22-17-9-4-3-8-16(17)21-18)12-14(13)15-7-5-6-10-20(15)2/h7-16H,1-6H3;5*5-14H,1-4H3;3-12H,1-2H3/q7*+1.
What are the key properties of 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium?
1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium has a molecular weight of 2279.26 g/mol, XLogP of 30.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methyldibenzo-p-dioxin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9,10,10-pentamethylanthracen-1-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzothiasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,10,10-trimethylbenzo[b][1,4]benzoxasilin-3-yl)pyridin-1-ium;1-methyl-2-(3,10,10-trimethylbenzo[b][1,4]benzoxasilin-2-yl)pyridin-1-ium;1-methyl-2-(2,9,9-trimethylxanthen-3-yl)pyridin-1-ium;1-methyl-2-(3,9,9-trimethylxanthen-2-yl)pyridin-1-ium is sourced from PubChem (CID 157334904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).