[3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone

C56H64N2O2Si4 — CID 58084769

IUPAC[3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone
SMILESC[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc(C(=O)c3cccc(C(=O)c4cccc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C56H64N2O2Si4/c1-61(2,3)51-30-22-45(23-31-51)57(46-24-32-52(33-25-46)62(4,5)6)49-20-14-18-43(39-49)55(59)41-16-13-17-42(38-41)56(60)44-19-15-21-50(40-44)58(47-26-34-53(35-27-47)63(7,8)9)48-28-36-54(37-29-48)64(10,11)12/h13-40H,1-12H3
InChIKeyVBECKTDJFNMCRP-UHFFFAOYSA-N
MW909.48 g/mol
LogP13.27
Rot. Bonds14

About [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone

[3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone (PubChem CID 58084769) has the molecular formula C56H64N2O2Si4 and a molecular weight of 909.48 g/mol. Its IUPAC name is [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone.

Molecular Properties

Compound Name[3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone
PubChem CID58084769
Molecular FormulaC56H64N2O2Si4
Molecular Weight909.48 g/mol
Exact Mass908.40
IUPAC Name[3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone
SMILESC[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc(C(=O)c3cccc(C(=O)c4cccc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C56H64N2O2Si4/c1-61(2,3)51-30-22-45(23-31-51)57(46-24-32-52(33-25-46)62(4,5)6)49-20-14-18-43(39-49)55(59)41-16-13-17-42(38-41)56(60)44-19-15-21-50(40-44)58(47-26-34-53(35-27-47)63(7,8)9)48-28-36-54(37-29-48)64(10,11)12/h13-40H,1-12H3
InChIKeyVBECKTDJFNMCRP-UHFFFAOYSA-N
XLogP13.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.48
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone with MolForge

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Related Compounds

[3-[3-(4-methyl-N-(4-methylphenyl)anilino)benzoyl]phenyl]-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanone
CID 58084709
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-3-(4-trimethylsilylphenyl)aniline
CID 165066954
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N,N-diphenyl-4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
CID 165073252
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 165040481
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
CID 90164634
CID 90164634
3-(3-carboxybenzoyl)benzoic acid
CID 754396

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone?
The IUPAC name of [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone (CID 58084769) is [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone.
What is the SMILES notation for [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone?
The canonical SMILES for [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone is C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc(C(=O)c3cccc(C(=O)c4cccc(N(c5ccc([Si](C)(C)C)cc5)c5ccc([Si](C)(C)C)cc5)c4)c3)c2)cc1.
What is the InChIKey of [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone?
The InChIKey is VBECKTDJFNMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N2O2Si4/c1-61(2,3)51-30-22-45(23-31-51)57(46-24-32-52(33-25-46)62(4,5)6)49-20-14-18-43(39-49)55(59)41-16-13-17-42(38-41)56(60)44-19-15-21-50(40-44)58(47-26-34-53(35-27-47)63(7,8)9)48-28-36-54(37-29-48)64(10,11)12/h13-40H,1-12H3.
What are the key properties of [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone?
[3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone has a molecular weight of 909.48 g/mol, XLogP of 13.27, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)benzoyl]phenyl]-[3-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]methanone is sourced from PubChem (CID 58084769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).