5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine

C31H41NO — CID 139601500

IUPAC5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3)nc2)cc1
InChIInChI=1S/C31H41NO/c1-3-5-7-9-11-13-26-14-16-28(17-15-26)31-23-20-29(25-32-31)27-18-21-30(22-19-27)33-24-12-10-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3
InChIKeyBKDLFQTXLHDGJZ-UHFFFAOYSA-N
MW443.68 g/mol
LogP9.28
Rot. Bonds15

About 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine

5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine (PubChem CID 139601500) has the molecular formula C31H41NO and a molecular weight of 443.68 g/mol. Its IUPAC name is 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine.

Molecular Properties

Compound Name5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
PubChem CID139601500
Molecular FormulaC31H41NO
Molecular Weight443.68 g/mol
Exact Mass443.32
IUPAC Name5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
SMILESCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3)nc2)cc1
InChIInChI=1S/C31H41NO/c1-3-5-7-9-11-13-26-14-16-28(17-15-26)31-23-20-29(25-32-31)27-18-21-30(22-19-27)33-24-12-10-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3
InChIKeyBKDLFQTXLHDGJZ-UHFFFAOYSA-N
XLogP9.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2-(4-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
1-[6-[4-[6-(4-hexylphenyl)-3-pyridinyl]phenoxy]hexyl]pyrrole-2,5-dione
CID 139975988
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582

Frequently Asked Questions

What is the IUPAC name of 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine?
The IUPAC name of 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine (CID 139601500) is 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine.
What is the SMILES notation for 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine?
The canonical SMILES for 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine is CCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3)nc2)cc1.
What is the InChIKey of 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine?
The InChIKey is BKDLFQTXLHDGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO/c1-3-5-7-9-11-13-26-14-16-28(17-15-26)31-23-20-29(25-32-31)27-18-21-30(22-19-27)33-24-12-10-8-6-4-2/h14-23,25H,3-13,24H2,1-2H3.
What are the key properties of 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine?
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine has a molecular weight of 443.68 g/mol, XLogP of 9.28, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine is sourced from PubChem (CID 139601500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).