2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine

C33H35N — CID 58151679

IUPAC2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine
SMILESC=Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C33H35N/c1-8-23-9-11-24(12-10-23)27-21-30(25-13-17-28(18-14-25)32(2,3)4)34-31(22-27)26-15-19-29(20-16-26)33(5,6)7/h8-22H,1H2,2-7H3
InChIKeyMKSBGNNVVCMRKE-UHFFFAOYSA-N
MW445.65 g/mol
LogP9.32
Rot. Bonds4

About 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine

2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine (PubChem CID 58151679) has the molecular formula C33H35N and a molecular weight of 445.65 g/mol. Its IUPAC name is 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine
PubChem CID58151679
Molecular FormulaC33H35N
Molecular Weight445.65 g/mol
Exact Mass445.28
IUPAC Name2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine
SMILESC=Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C33H35N/c1-8-23-9-11-24(12-10-23)27-21-30(25-13-17-28(18-14-25)32(2,3)4)34-31(22-27)26-15-19-29(20-16-26)33(5,6)7/h8-22H,1H2,2-7H3
InChIKeyMKSBGNNVVCMRKE-UHFFFAOYSA-N
XLogP9.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine?
The IUPAC name of 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine (CID 58151679) is 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine.
What is the SMILES notation for 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine?
The canonical SMILES for 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine is C=Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)c2)cc1.
What is the InChIKey of 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine?
The InChIKey is MKSBGNNVVCMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N/c1-8-23-9-11-24(12-10-23)27-21-30(25-13-17-28(18-14-25)32(2,3)4)34-31(22-27)26-15-19-29(20-16-26)33(5,6)7/h8-22H,1H2,2-7H3.
What are the key properties of 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine?
2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine has a molecular weight of 445.65 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-tert-butylphenyl)-4-(4-ethenylphenyl)pyridine is sourced from PubChem (CID 58151679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).