5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine

C55H56N4Si — CID 123715885

IUPAC5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc(/C=C/c3ccc(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)cc3)cn2)cc1
InChIInChI=1S/C55H56N4Si/c1-54(2,3)44-20-28-48(29-21-44)58(49-30-22-45(23-31-49)55(4,5)6)47-26-18-43(19-27-47)42-16-13-40(14-17-42)11-12-41-15-38-53(57-39-41)59(50-32-24-46(56-7)25-33-50)51-34-36-52(37-35-51)60(8,9)10/h11-39H,1-6,8-10H3/b12-11+
InChIKeyWUIBHIKALHRVRJ-VAWYXSNFSA-N
MW801.17 g/mol
LogP15.55
Rot. Bonds10

About 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine

5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine (PubChem CID 123715885) has the molecular formula C55H56N4Si and a molecular weight of 801.17 g/mol. Its IUPAC name is 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine
PubChem CID123715885
Molecular FormulaC55H56N4Si
Molecular Weight801.17 g/mol
Exact Mass800.43
IUPAC Name5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc(/C=C/c3ccc(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)cc3)cn2)cc1
InChIInChI=1S/C55H56N4Si/c1-54(2,3)44-20-28-48(29-21-44)58(49-30-22-45(23-31-49)55(4,5)6)47-26-18-43(19-27-47)42-16-13-40(14-17-42)11-12-41-15-38-53(57-39-41)59(50-32-24-46(56-7)25-33-50)51-34-36-52(37-35-51)60(8,9)10/h11-39H,1-6,8-10H3/b12-11+
InChIKeyWUIBHIKALHRVRJ-VAWYXSNFSA-N
XLogP15.55
TPSA23.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.17
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine?
The IUPAC name of 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine (CID 123715885) is 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine?
The canonical SMILES for 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine is [C-]#[N+]c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc(/C=C/c3ccc(-c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)cc3)cn2)cc1.
What is the InChIKey of 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine?
The InChIKey is WUIBHIKALHRVRJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C55H56N4Si/c1-54(2,3)44-20-28-48(29-21-44)58(49-30-22-45(23-31-49)55(4,5)6)47-26-18-43(19-27-47)42-16-13-40(14-17-42)11-12-41-15-38-53(57-39-41)59(50-32-24-46(56-7)25-33-50)51-34-36-52(37-35-51)60(8,9)10/h11-39H,1-6,8-10H3/b12-11+.
What are the key properties of 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine?
5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine has a molecular weight of 801.17 g/mol, XLogP of 15.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]ethenyl]-N-(4-isocyanophenyl)-N-(4-trimethylsilylphenyl)pyridin-2-amine is sourced from PubChem (CID 123715885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).