dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane

C33H21BF15NSi2 — CID 122223291

IUPACdimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCB(c1c(F)c(F)c(F)c(F)c1F)c1c(-c2c(F)c(F)c(F)c(F)c2F)c([Si](C)(C)C)c2cccnc2c1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C33H21BF15NSi2/c1-34(14-17(37)21(41)24(44)22(42)18(14)38)13-11(12-15(35)19(39)23(43)20(40)16(12)36)31(51(2,3)4)10-8-7-9-50-30(10)32(13)52(5,6)33-28(48)26(46)25(45)27(47)29(33)49/h7-9H,1-6H3
InChIKeyKHOAVBUWIQQCNA-UHFFFAOYSA-N
MW783.49 g/mol
LogP7.59
Rot. Bonds6

About dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane

dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 122223291) has the molecular formula C33H21BF15NSi2 and a molecular weight of 783.49 g/mol. Its IUPAC name is dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID122223291
Molecular FormulaC33H21BF15NSi2
Molecular Weight783.49 g/mol
Exact Mass783.11
IUPAC Namedimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCB(c1c(F)c(F)c(F)c(F)c1F)c1c(-c2c(F)c(F)c(F)c(F)c2F)c([Si](C)(C)C)c2cccnc2c1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C33H21BF15NSi2/c1-34(14-17(37)21(41)24(44)22(42)18(14)38)13-11(12-15(35)19(39)23(43)20(40)16(12)36)31(51(2,3)4)10-8-7-9-50-30(10)32(13)52(5,6)33-28(48)26(46)25(45)27(47)29(33)49/h7-9H,1-6H3
InChIKeyKHOAVBUWIQQCNA-UHFFFAOYSA-N
XLogP7.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.49
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane with MolForge

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Related Compounds

4-(4-Dimethylaminostyryl)quinoline
CID 668053
Quinolinium, 4-(p-dimethylaminostyryl)-1-methyl-
CID 1405133
4-[(E)-2-benzo[f]quinolin-1-ylvinyl]-N,N-dimethyl-aniline
CID 5904653
2-[(Z)-(1-allylquinolin-4(1H)-ylidene)methyl]-1-ethyl-6-methylquinolinium
CID 16188098
6-Phenylquinoline
CID 69168
Quinoline, 4-(p-diethylaminostyryl)-
CID 5473443
10-Azabenzo(a)pyrene
CID 12435805
4-[2-(2-Fluorophenyl)ethenyl]-1-methylquinolin-1-ium
CID 753601
4-[(E)-2-(2-fluorophenyl)ethenyl]-1-methylquinolinium
CID 753602
6-Methyl-4-phenyl-2-(pyridin-4-yl)quinoline
CID 1264779
1-Benzyl-4,6-dimethylquinolin-1-ium chloride
CID 12549420
6-[[4,4-Difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]quinoline
CID 134136119

Frequently Asked Questions

What is the IUPAC name of dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane (CID 122223291) is dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane is CB(c1c(F)c(F)c(F)c(F)c1F)c1c(-c2c(F)c(F)c(F)c(F)c2F)c([Si](C)(C)C)c2cccnc2c1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is KHOAVBUWIQQCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BF15NSi2/c1-34(14-17(37)21(41)24(44)22(42)18(14)38)13-11(12-15(35)19(39)23(43)20(40)16(12)36)31(51(2,3)4)10-8-7-9-50-30(10)32(13)52(5,6)33-28(48)26(46)25(45)27(47)29(33)49/h7-9H,1-6H3.
What are the key properties of dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 783.49 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[7-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-6-(2,3,4,5,6-pentafluorophenyl)-5-trimethylsilylquinolin-8-yl]-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 122223291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).