4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline

C33H47NO2Si — CID 11800072

IUPAC4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(CCOCCCO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C33H47NO2Si/c1-7-8-13-28-16-20-31(21-17-28)34(30-14-10-9-11-15-30)32-22-18-29(19-23-32)24-27-35-25-12-26-36-37(5,6)33(2,3)4/h9-11,14-23H,7-8,12-13,24-27H2,1-6H3
InChIKeyQBZIMYACXKSVKZ-UHFFFAOYSA-N
MW517.83 g/mol
LogP9.47
Rot. Bonds14

About 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline

4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline (PubChem CID 11800072) has the molecular formula C33H47NO2Si and a molecular weight of 517.83 g/mol. Its IUPAC name is 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline
PubChem CID11800072
Molecular FormulaC33H47NO2Si
Molecular Weight517.83 g/mol
Exact Mass517.34
IUPAC Name4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccccc2)c2ccc(CCOCCCO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C33H47NO2Si/c1-7-8-13-28-16-20-31(21-17-28)34(30-14-10-9-11-15-30)32-22-18-29(19-23-32)24-27-35-25-12-26-36-37(5,6)33(2,3)4/h9-11,14-23H,7-8,12-13,24-27H2,1-6H3
InChIKeyQBZIMYACXKSVKZ-UHFFFAOYSA-N
XLogP9.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.83
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
tert-butyl-dimethyl-[2-(4-triphenylsilylphenyl)ethoxy]silane
CID 58097772
2-pentoxyethylbenzene
CID 3022447
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline (CID 11800072) is 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline is CCCCc1ccc(N(c2ccccc2)c2ccc(CCOCCCO[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline?
The InChIKey is QBZIMYACXKSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47NO2Si/c1-7-8-13-28-16-20-31(21-17-28)34(30-14-10-9-11-15-30)32-22-18-29(19-23-32)24-27-35-25-12-26-36-37(5,6)33(2,3)4/h9-11,14-23H,7-8,12-13,24-27H2,1-6H3.
What are the key properties of 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline?
4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline has a molecular weight of 517.83 g/mol, XLogP of 9.47, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]ethyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 11800072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).