5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine

C34H47NO — CID 19859422

IUPAC5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(C(C)c3ccc(CCCCCCC)cn3)cc2)cc1
InChIInChI=1S/C34H47NO/c1-4-6-8-10-12-14-26-36-33-23-21-32(22-24-33)31-19-17-30(18-20-31)28(3)34-25-16-29(27-35-34)15-13-11-9-7-5-2/h16-25,27-28H,4-15,26H2,1-3H3
InChIKeyRXSJSBVJXCCMMF-UHFFFAOYSA-N
MW485.76 g/mol
LogP10.15
Rot. Bonds17

About 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine

5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine (PubChem CID 19859422) has the molecular formula C34H47NO and a molecular weight of 485.76 g/mol. Its IUPAC name is 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine
PubChem CID19859422
Molecular FormulaC34H47NO
Molecular Weight485.76 g/mol
Exact Mass485.37
IUPAC Name5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(C(C)c3ccc(CCCCCCC)cn3)cc2)cc1
InChIInChI=1S/C34H47NO/c1-4-6-8-10-12-14-26-36-33-23-21-32(22-24-33)31-19-17-30(18-20-31)28(3)34-25-16-29(27-35-34)15-13-11-9-7-5-2/h16-25,27-28H,4-15,26H2,1-3H3
InChIKeyRXSJSBVJXCCMMF-UHFFFAOYSA-N
XLogP10.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.76
LogP ≤ 510.15
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-[1-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 19859124
5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 19859414
2-[1-(4-heptoxyphenyl)ethyl]-5-octylpyridine
CID 19859021
2-[1-(4-heptoxyphenyl)ethyl]-5-heptylpyridine
CID 19858643
2-[1-(4-octoxyphenyl)ethyl]-5-pentylpyridine
CID 19859018
2-[1-[4-(4-heptoxyphenyl)phenyl]ethyl]-5-propylpyridine
CID 19858906
5-butyl-2-[1-(4-octoxyphenyl)ethyl]pyridine
CID 19859623
2-[1-(4-pentoxyphenyl)ethyl]-5-propylpyridine
CID 19859674
2-[1-(4-ethoxyphenyl)ethyl]-5-hexylpyridine
CID 19858713
2-[1-(4-methoxyphenyl)ethyl]-5-pentylpyridine
CID 19858872
2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine
CID 19858932
5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine
CID 19858973

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine?
The IUPAC name of 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine (CID 19859422) is 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine?
The canonical SMILES for 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine is CCCCCCCCOc1ccc(-c2ccc(C(C)c3ccc(CCCCCCC)cn3)cc2)cc1.
What is the InChIKey of 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine?
The InChIKey is RXSJSBVJXCCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47NO/c1-4-6-8-10-12-14-26-36-33-23-21-32(22-24-33)31-19-17-30(18-20-31)28(3)34-25-16-29(27-35-34)15-13-11-9-7-5-2/h16-25,27-28H,4-15,26H2,1-3H3.
What are the key properties of 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine?
5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine has a molecular weight of 485.76 g/mol, XLogP of 10.15, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 19859422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).