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

C33H21BF15NSi2 — CID 134951968

IUPACdimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-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)c2ncccc2c1[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)32(51(2,3)4)30-10(8-7-9-50-30)31(13)52(5,6)33-28(48)26(46)25(45)27(47)29(33)49/h7-9H,1-6H3
InChIKeyCGSUDQHHGIFEEG-UHFFFAOYSA-N
MW783.49 g/mol
LogP7.59
Rot. Bonds6

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

dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 134951968) has the molecular formula C33H21BF15NSi2 and a molecular weight of 783.49 g/mol. Its IUPAC name is dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID134951968
Molecular FormulaC33H21BF15NSi2
Molecular Weight783.49 g/mol
Exact Mass783.11
IUPAC Namedimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-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)c2ncccc2c1[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)32(51(2,3)4)30-10(8-7-9-50-30)31(13)52(5,6)33-28(48)26(46)25(45)27(47)29(33)49/h7-9H,1-6H3
InChIKeyCGSUDQHHGIFEEG-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-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane with MolForge

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Related Compounds

Naphtho[2,3-h]quinoline
CID 6774
2-[(Z)-(1-ethyl-7-methylquinolin-4(1H)-ylidene)methyl]-1-methylquinolinium
CID 16193144
4-Azachrysene
CID 9174
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
1-Benzyl-7-methylquinolin-1-ium bromide
CID 24892498
N-(4-phenylphenyl)-1-(3-piperidin-1-ylpropyl)-7-quinolin-3-ylquinolin-4-imine
CID 72703488
Quinofumelin
CID 23160856
Quinoline, 8-fluoro-7-methyl-
CID 97036704
4-(4-Methylphenyl)-2-pyridin-4-ylquinoline
CID 53543645
5,7-Dimethyl-3-phenylquinoline
CID 102579879

Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane (CID 134951968) is dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-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)c2ncccc2c1[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is CGSUDQHHGIFEEG-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)32(51(2,3)4)30-10(8-7-9-50-30)31(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-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-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-[6-[methyl-(2,3,4,5,6-pentafluorophenyl)boranyl]-7-(2,3,4,5,6-pentafluorophenyl)-8-trimethylsilylquinolin-5-yl]-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 134951968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).