3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine

C55H57N — CID 159992770

IUPAC3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine
SMILESCCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cncc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C55H57N/c1-11-37-12-14-38(15-13-37)42-28-43(39-16-22-50(23-17-39)53(2,3)4)31-46(30-42)48-34-49(36-56-35-48)47-32-44(40-18-24-51(25-19-40)54(5,6)7)29-45(33-47)41-20-26-52(27-21-41)55(8,9)10/h12-36H,11H2,1-10H3
InChIKeyXEOHHYODCTUHNL-UHFFFAOYSA-N
MW732.07 g/mol
LogP15.54
Rot. Bonds7

About 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine

3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine (PubChem CID 159992770) has the molecular formula C55H57N and a molecular weight of 732.07 g/mol. Its IUPAC name is 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine
PubChem CID159992770
Molecular FormulaC55H57N
Molecular Weight732.07 g/mol
Exact Mass731.45
IUPAC Name3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine
SMILESCCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cncc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)c3)c2)cc1
InChIInChI=1S/C55H57N/c1-11-37-12-14-38(15-13-37)42-28-43(39-16-22-50(23-17-39)53(2,3)4)31-46(30-42)48-34-49(36-56-35-48)47-32-44(40-18-24-51(25-19-40)54(5,6)7)29-45(33-47)41-20-26-52(27-21-41)55(8,9)10/h12-36H,11H2,1-10H3
InChIKeyXEOHHYODCTUHNL-UHFFFAOYSA-N
XLogP15.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.07
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine?
The IUPAC name of 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine (CID 159992770) is 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine.
What is the SMILES notation for 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine?
The canonical SMILES for 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine is CCc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cncc(-c4cc(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(C(C)(C)C)cc5)c4)c3)c2)cc1.
What is the InChIKey of 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine?
The InChIKey is XEOHHYODCTUHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H57N/c1-11-37-12-14-38(15-13-37)42-28-43(39-16-22-50(23-17-39)53(2,3)4)31-46(30-42)48-34-49(36-56-35-48)47-32-44(40-18-24-51(25-19-40)54(5,6)7)29-45(33-47)41-20-26-52(27-21-41)55(8,9)10/h12-36H,11H2,1-10H3.
What are the key properties of 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine?
3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine has a molecular weight of 732.07 g/mol, XLogP of 15.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(4-tert-butylphenyl)phenyl]-5-[3-(4-tert-butylphenyl)-5-(4-ethylphenyl)phenyl]pyridine is sourced from PubChem (CID 159992770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).