2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium

C165H378N12O9S12Si15+12 — CID 132545150

IUPAC2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCSCC[Si](C)(CCCCO[Si](C)(C)CCC[Si](C)(CCCCOc1cc(OCCCC[Si](C)(CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)cc(OCCCC[Si](C)(CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)c1)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C
InChIInChI=1S/C165H378N12O9S12Si15/c1-166(2,3)82-103-187-115-148-208(52,149-116-188-104-83-167(4,5)6)136-70-61-97-181-199(37,38)127-76-142-205(49,143-77-128-200(39,40)182-98-62-71-137-209(53,150-117-189-105-84-168(7,8)9)151-118-190-106-85-169(10,11)12)133-67-58-94-178-163-160-164(179-95-59-68-134-206(50,144-78-129-201(41,42)183-99-63-72-138-210(54,152-119-191-107-86-170(13,14)15)153-120-192-108-87-171(16,17)18)145-79-130-202(43,44)184-100-64-73-139-211(55,154-121-193-109-88-172(19,20)21)155-122-194-110-89-173(22,23)24)162-165(161-163)180-96-60-69-135-207(51,146-80-131-203(45,46)185-101-65-74-140-212(56,156-123-195-111-90-174(25,26)27)157-124-196-112-91-175(28,29)30)147-81-132-204(47,48)186-102-66-75-141-213(57,158-125-197-113-92-176(31,32)33)159-126-198-114-93-177(34,35)36/h160-162H,58-159H2,1-57H3/q+12
InChIKeyLPXQDHMKDGEBEI-UHFFFAOYSA-N
MW3481.01 g/mol
LogP43.50
Rot. Bonds150

About 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium

2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium (PubChem CID 132545150) has the molecular formula C165H378N12O9S12Si15+12 and a molecular weight of 3481.01 g/mol. Its IUPAC name is 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium
PubChem CID132545150
Molecular FormulaC165H378N12O9S12Si15+12
Molecular Weight3481.01 g/mol
Exact Mass3476.26
IUPAC Name2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCSCC[Si](C)(CCCCO[Si](C)(C)CCC[Si](C)(CCCCOc1cc(OCCCC[Si](C)(CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)cc(OCCCC[Si](C)(CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)c1)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C
InChIInChI=1S/C165H378N12O9S12Si15/c1-166(2,3)82-103-187-115-148-208(52,149-116-188-104-83-167(4,5)6)136-70-61-97-181-199(37,38)127-76-142-205(49,143-77-128-200(39,40)182-98-62-71-137-209(53,150-117-189-105-84-168(7,8)9)151-118-190-106-85-169(10,11)12)133-67-58-94-178-163-160-164(179-95-59-68-134-206(50,144-78-129-201(41,42)183-99-63-72-138-210(54,152-119-191-107-86-170(13,14)15)153-120-192-108-87-171(16,17)18)145-79-130-202(43,44)184-100-64-73-139-211(55,154-121-193-109-88-172(19,20)21)155-122-194-110-89-173(22,23)24)162-165(161-163)180-96-60-69-135-207(51,146-80-131-203(45,46)185-101-65-74-140-212(56,156-123-195-111-90-174(25,26)27)157-124-196-112-91-175(28,29)30)147-81-132-204(47,48)186-102-66-75-141-213(57,158-125-197-113-92-176(31,32)33)159-126-198-114-93-177(34,35)36/h160-162H,58-159H2,1-57H3/q+12
InChIKeyLPXQDHMKDGEBEI-UHFFFAOYSA-N
XLogP43.50
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds150
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003481.01
LogP ≤ 543.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium with MolForge

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Related Compounds

3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane
CID 102259085
2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide
CID 3068447
dodecoxy-dimethyl-octylsilane
CID 618139
hexadecoxy-dimethyl-octylsilane
CID 627002
trimethyl-[8-[3-[(E)-2-[3-[7-(trimethylazaniumyl)heptoxy]-5-[8-(trimethylazaniumyl)octoxy]phenyl]ethenyl]-5-[8-(trimethylazaniumyl)octoxy]phenoxy]octyl]azanium
CID 166589948
ethoxy-dimethyl-(6-pyridin-4-yloxyhexyl)silane
CID 91275101
2-(3-methoxypropylsulfanyl)ethyl-trimethylazanium
CID 170077557
trimethyl-[12-[4-[[4-[12-(trimethylazaniumyl)dodecoxy]phenyl]diazenyl]phenoxy]dodecyl]azanium
CID 100928336
1,3,5-tributoxybenzene
CID 15933337
trimethyl-[2-(3,4,5-trifluorophenoxy)ethyl]azanium
CID 155656953
6-bromohexoxy-butyl-dimethylsilane
CID 154264730
4-[3-[dimethyl(prop-2-enoxy)silyl]propoxy]-2-methoxyphenol
CID 20667337

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium?
The IUPAC name of 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium (CID 132545150) is 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium.
What is the SMILES notation for 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium?
The canonical SMILES for 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium is C[N+](C)(C)CCSCC[Si](C)(CCCCO[Si](C)(C)CCC[Si](C)(CCCCOc1cc(OCCCC[Si](C)(CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)cc(OCCCC[Si](C)(CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)c1)CCC[Si](C)(C)OCCCC[Si](C)(CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C)CCSCC[N+](C)(C)C.
What is the InChIKey of 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium?
The InChIKey is LPXQDHMKDGEBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H378N12O9S12Si15/c1-166(2,3)82-103-187-115-148-208(52,149-116-188-104-83-167(4,5)6)136-70-61-97-181-199(37,38)127-76-142-205(49,143-77-128-200(39,40)182-98-62-71-137-209(53,150-117-189-105-84-168(7,8)9)151-118-190-106-85-169(10,11)12)133-67-58-94-178-163-160-164(179-95-59-68-134-206(50,144-78-129-201(41,42)183-99-63-72-138-210(54,152-119-191-107-86-170(13,14)15)153-120-192-108-87-171(16,17)18)145-79-130-202(43,44)184-100-64-73-139-211(55,154-121-193-109-88-172(19,20)21)155-122-194-110-89-173(22,23)24)162-165(161-163)180-96-60-69-135-207(51,146-80-131-203(45,46)185-101-65-74-140-212(56,156-123-195-111-90-174(25,26)27)157-124-196-112-91-175(28,29)30)147-81-132-204(47,48)186-102-66-75-141-213(57,158-125-197-113-92-176(31,32)33)159-126-198-114-93-177(34,35)36/h160-162H,58-159H2,1-57H3/q+12.
What are the key properties of 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium?
2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium has a molecular weight of 3481.01 g/mol, XLogP of 43.50, 150 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-[4-[3,5-bis[4-[bis[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]butoxy]phenoxy]butyl-[3-[dimethyl-[4-[methyl-bis[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]butoxy]silyl]propyl]-methylsilyl]propyl-dimethylsilyl]oxybutyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]silyl]ethylsulfanyl]ethyl-trimethylazanium is sourced from PubChem (CID 132545150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).