2,5-bis(4-octylphenyl)pyridine

C33H45N — CID 139839621

IUPAC2,5-bis(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCCC)cc3)nc2)cc1
InChIInChI=1S/C33H45N/c1-3-5-7-9-11-13-15-28-17-21-30(22-18-28)32-25-26-33(34-27-32)31-23-19-29(20-24-31)16-14-12-10-8-6-4-2/h17-27H,3-16H2,1-2H3
InChIKeyVOJINBQQROQRAH-UHFFFAOYSA-N
MW455.73 g/mol
LogP10.22
Rot. Bonds16

About 2,5-bis(4-octylphenyl)pyridine

2,5-bis(4-octylphenyl)pyridine (PubChem CID 139839621) has the molecular formula C33H45N and a molecular weight of 455.73 g/mol. Its IUPAC name is 2,5-bis(4-octylphenyl)pyridine.

Molecular Properties

Compound Name2,5-bis(4-octylphenyl)pyridine
PubChem CID139839621
Molecular FormulaC33H45N
Molecular Weight455.73 g/mol
Exact Mass455.36
IUPAC Name2,5-bis(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCCC)cc3)nc2)cc1
InChIInChI=1S/C33H45N/c1-3-5-7-9-11-13-15-28-17-21-30(22-18-28)32-25-26-33(34-27-32)31-23-19-29(20-24-31)16-14-12-10-8-6-4-2/h17-27H,3-16H2,1-2H3
InChIKeyVOJINBQQROQRAH-UHFFFAOYSA-N
XLogP10.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.73
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
5-decyl-2-[6-(4-pentylphenyl)-3-pyridinyl]pyrimidine
CID 139626602
2-[6-(4-heptylphenyl)-3-pyridinyl]-5-nonylpyrimidine
CID 86172683
2-[6-(4-butylphenyl)-3-pyridinyl]-5-hexylpyrimidine
CID 86172659
2-(4-isothiocyanatophenyl)-5-(4-undecylphenyl)pyridine
CID 22157225
[4-[6-(4-hexylphenyl)-3-pyridinyl]phenyl]-phenylmethanone
CID 59538564
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-octylphenyl)pyridine?
The IUPAC name of 2,5-bis(4-octylphenyl)pyridine (CID 139839621) is 2,5-bis(4-octylphenyl)pyridine.
What is the SMILES notation for 2,5-bis(4-octylphenyl)pyridine?
The canonical SMILES for 2,5-bis(4-octylphenyl)pyridine is CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCCC)cc3)nc2)cc1.
What is the InChIKey of 2,5-bis(4-octylphenyl)pyridine?
The InChIKey is VOJINBQQROQRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N/c1-3-5-7-9-11-13-15-28-17-21-30(22-18-28)32-25-26-33(34-27-32)31-23-19-29(20-24-31)16-14-12-10-8-6-4-2/h17-27H,3-16H2,1-2H3.
What are the key properties of 2,5-bis(4-octylphenyl)pyridine?
2,5-bis(4-octylphenyl)pyridine has a molecular weight of 455.73 g/mol, XLogP of 10.22, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-octylphenyl)pyridine is sourced from PubChem (CID 139839621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).