4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline

C53H57NSi — CID 59838914

IUPAC4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(/C=C/c4ccc([Si](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H57NSi/c1-52(2,3)46-28-16-40(17-29-46)10-12-42-20-32-48(33-21-42)54(49-34-22-43(23-35-49)13-11-41-18-30-47(31-19-41)53(4,5)6)50-36-24-44(25-37-50)14-15-45-26-38-51(39-27-45)55(7,8)9/h10-39H,1-9H3/b12-10+,13-11+,15-14+
InChIKeyADBKQNKNZVCOCS-ODMYBPKPSA-N
MW736.13 g/mol
LogP14.81
Rot. Bonds10

About 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline

4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline (PubChem CID 59838914) has the molecular formula C53H57NSi and a molecular weight of 736.13 g/mol. Its IUPAC name is 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline
PubChem CID59838914
Molecular FormulaC53H57NSi
Molecular Weight736.13 g/mol
Exact Mass735.43
IUPAC Name4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(/C=C/c4ccc([Si](C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H57NSi/c1-52(2,3)46-28-16-40(17-29-46)10-12-42-20-32-48(33-21-42)54(49-34-22-43(23-35-49)13-11-41-18-30-47(31-19-41)53(4,5)6)50-36-24-44(25-37-50)14-15-45-26-38-51(39-27-45)55(7,8)9/h10-39H,1-9H3/b12-10+,13-11+,15-14+
InChIKeyADBKQNKNZVCOCS-ODMYBPKPSA-N
XLogP14.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.13
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline (CID 59838914) is 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline is CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C(C)(C)C)cc4)cc3)c3ccc(/C=C/c4ccc([Si](C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline?
The InChIKey is ADBKQNKNZVCOCS-ODMYBPKPSA-N. The full InChI is InChI=1S/C53H57NSi/c1-52(2,3)46-28-16-40(17-29-46)10-12-42-20-32-48(33-21-42)54(49-34-22-43(23-35-49)13-11-41-18-30-47(31-19-41)53(4,5)6)50-36-24-44(25-37-50)14-15-45-26-38-51(39-27-45)55(7,8)9/h10-39H,1-9H3/b12-10+,13-11+,15-14+.
What are the key properties of 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline?
4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline has a molecular weight of 736.13 g/mol, XLogP of 14.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-N-[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 59838914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).