N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline

C50H35F6NSi — CID 163737553

IUPACN,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C50H35F6NSi/c51-49(52,53)40-24-30-43(31-25-40)57(44-32-26-41(27-33-44)50(54,55)56)42-28-20-38(21-29-42)36-16-18-37(19-17-36)39-22-34-48(35-23-39)58(45-10-4-1-5-11-45,46-12-6-2-7-13-46)47-14-8-3-9-15-47/h1-35H
InChIKeyLEXVLYKINQPWQQ-UHFFFAOYSA-N
MW791.91 g/mol
LogP11.91
Rot. Bonds9

About N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline

N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline (PubChem CID 163737553) has the molecular formula C50H35F6NSi and a molecular weight of 791.91 g/mol. Its IUPAC name is N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
PubChem CID163737553
Molecular FormulaC50H35F6NSi
Molecular Weight791.91 g/mol
Exact Mass791.24
IUPAC NameN,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(N(c2ccc(-c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C50H35F6NSi/c51-49(52,53)40-24-30-43(31-25-40)57(44-32-26-41(27-33-44)50(54,55)56)42-28-20-38(21-29-42)36-16-18-37(19-17-36)39-22-34-48(35-23-39)58(45-10-4-1-5-11-45,46-12-6-2-7-13-46)47-14-8-3-9-15-47/h1-35H
InChIKeyLEXVLYKINQPWQQ-UHFFFAOYSA-N
XLogP11.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.91
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?
The IUPAC name of N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline (CID 163737553) is N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline.
What is the SMILES notation for N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?
The canonical SMILES for N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline is FC(F)(F)c1ccc(N(c2ccc(-c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?
The InChIKey is LEXVLYKINQPWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35F6NSi/c51-49(52,53)40-24-30-43(31-25-40)57(44-32-26-41(27-33-44)50(54,55)56)42-28-20-38(21-29-42)36-16-18-37(19-17-36)39-22-34-48(35-23-39)58(45-10-4-1-5-11-45,46-12-6-2-7-13-46)47-14-8-3-9-15-47/h1-35H.
What are the key properties of N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline has a molecular weight of 791.91 g/mol, XLogP of 11.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline is sourced from PubChem (CID 163737553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).