2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline

C22H25N2Si+ — CID 140839568

IUPAC2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
SMILESCc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1[Si]2(C)C
InChIInChI=1S/C22H25N2Si/c1-16-14-22-20(15-17(16)18-10-8-9-13-23(18)2)24(3)19-11-6-7-12-21(19)25(22,4)5/h6-15H,1-5H3/q+1
InChIKeyQUDZMCRTZXFWHK-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.39
Rot. Bonds1

About 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline

2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline (PubChem CID 140839568) has the molecular formula C22H25N2Si+ and a molecular weight of 345.54 g/mol. Its IUPAC name is 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
PubChem CID140839568
Molecular FormulaC22H25N2Si+
Molecular Weight345.54 g/mol
Exact Mass345.18
IUPAC Name2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline
SMILESCc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1[Si]2(C)C
InChIInChI=1S/C22H25N2Si/c1-16-14-22-20(15-17(16)18-10-8-9-13-23(18)2)24(3)19-11-6-7-12-21(19)25(22,4)5/h6-15H,1-5H3/q+1
InChIKeyQUDZMCRTZXFWHK-UHFFFAOYSA-N
XLogP3.39
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.39
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

3,10-dimethyl-2-(1-methylpyridin-1-ium-2-yl)phenoxazine
CID 140839426
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 14494633
2,5,10-trimethyl-3-(1-methylpyrazin-1-ium-2-yl)phenazine
CID 140839543
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
1-(2-methylphenyl)-7-(1-methylpyridin-1-ium-2-yl)indole
CID 176737848
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
2-(4-isocyano-2-methylphenyl)-1-methylpyridin-1-ium
CID 176621919
2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 167365761

Frequently Asked Questions

What is the IUPAC name of 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline?
The IUPAC name of 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline (CID 140839568) is 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline.
What is the SMILES notation for 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline?
The canonical SMILES for 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline is Cc1cc2c(cc1-c1cccc[n+]1C)N(C)c1ccccc1[Si]2(C)C.
What is the InChIKey of 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline?
The InChIKey is QUDZMCRTZXFWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2Si/c1-16-14-22-20(15-17(16)18-10-8-9-13-23(18)2)24(3)19-11-6-7-12-21(19)25(22,4)5/h6-15H,1-5H3/q+1.
What are the key properties of 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline?
2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline has a molecular weight of 345.54 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,10,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)benzo[b][1,4]benzazasiline is sourced from PubChem (CID 140839568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).