N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride

C39H74FNO7Si6 — CID 177125346

IUPACN,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
SMILESCO[Si](CCC[Si](C)(C)c1ccc([Si](C)(C)CCCN(CCC[Si](C)(C)c2ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc2)C(=O)F)cc1)(OC)OC
InChIInChI=1S/C39H74FNO7Si6/c1-43-53(44-2,45-3)33-17-31-51(11,12)37-23-19-35(20-24-37)49(7,8)29-15-27-41(39(40)42)28-16-30-50(9,10)36-21-25-38(26-22-36)52(13,14)32-18-34-54(46-4,47-5)48-6/h19-26H,15-18,27-34H2,1-14H3
InChIKeyQMHUUWWTRBEXQC-UHFFFAOYSA-N
MW856.53 g/mol
LogP7.76
Rot. Bonds26

About N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride

N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride (PubChem CID 177125346) has the molecular formula C39H74FNO7Si6 and a molecular weight of 856.53 g/mol. Its IUPAC name is N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride.

Molecular Properties

Compound NameN,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
PubChem CID177125346
Molecular FormulaC39H74FNO7Si6
Molecular Weight856.53 g/mol
Exact Mass855.41
IUPAC NameN,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
SMILESCO[Si](CCC[Si](C)(C)c1ccc([Si](C)(C)CCCN(CCC[Si](C)(C)c2ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc2)C(=O)F)cc1)(OC)OC
InChIInChI=1S/C39H74FNO7Si6/c1-43-53(44-2,45-3)33-17-31-51(11,12)37-23-19-35(20-24-37)49(7,8)29-15-27-41(39(40)42)28-16-30-50(9,10)36-21-25-38(26-22-36)52(13,14)32-18-34-54(46-4,47-5)48-6/h19-26H,15-18,27-34H2,1-14H3
InChIKeyQMHUUWWTRBEXQC-UHFFFAOYSA-N
XLogP7.76
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.53
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide
CID 170703045
N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
CID 177125282
bis(N,N-diethylcarbamoyloxy)diphenylsilane
CID 138454603
1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 19902660
CID 23596930
CID 23596930
3-[dimethoxy(phenyl)silyl]-N,N-bis[3-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 54289355
1,1-Bis[3-[diethoxy(phenyl)silyl]propyl]urea
CID 173892397
CID 23596931
CID 23596931
[tert-butyl(diphenyl)silyl] N,N-diethylcarbamate
CID 101858554
3-[[Dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium
CID 160645610

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
The IUPAC name of N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride (CID 177125346) is N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride.
What is the SMILES notation for N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
The canonical SMILES for N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride is CO[Si](CCC[Si](C)(C)c1ccc([Si](C)(C)CCCN(CCC[Si](C)(C)c2ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc2)C(=O)F)cc1)(OC)OC.
What is the InChIKey of N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
The InChIKey is QMHUUWWTRBEXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74FNO7Si6/c1-43-53(44-2,45-3)33-17-31-51(11,12)37-23-19-35(20-24-37)49(7,8)29-15-27-41(39(40)42)28-16-30-50(9,10)36-21-25-38(26-22-36)52(13,14)32-18-34-54(46-4,47-5)48-6/h19-26H,15-18,27-34H2,1-14H3.
What are the key properties of N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride has a molecular weight of 856.53 g/mol, XLogP of 7.76, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride is sourced from PubChem (CID 177125346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).