5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine

C32H38FNO — CID 70263243

IUPAC5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
SMILESC=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3F)cn2)cc1
InChIInChI=1S/C32H38FNO/c1-4-6-10-22-35-25(3)12-8-7-9-13-27-16-20-30(31(33)23-27)29-19-21-32(34-24-29)28-17-14-26(11-5-2)15-18-28/h5,9,13-21,23-25H,2,4,6-8,10-12,22H2,1,3H3/b13-9+
InChIKeyVCYJLWOBVRUVME-UKTHLTGXSA-N
MW471.66 g/mol
LogP9.06
Rot. Bonds14

About 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine

5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine (PubChem CID 70263243) has the molecular formula C32H38FNO and a molecular weight of 471.66 g/mol. Its IUPAC name is 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine.

Molecular Properties

Compound Name5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
PubChem CID70263243
Molecular FormulaC32H38FNO
Molecular Weight471.66 g/mol
Exact Mass471.29
IUPAC Name5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
SMILESC=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3F)cn2)cc1
InChIInChI=1S/C32H38FNO/c1-4-6-10-22-35-25(3)12-8-7-9-13-27-16-20-30(31(33)23-27)29-19-21-32(34-24-29)28-17-14-26(11-5-2)15-18-28/h5,9,13-21,23-25H,2,4,6-8,10-12,22H2,1,3H3/b13-9+
InChIKeyVCYJLWOBVRUVME-UKTHLTGXSA-N
XLogP9.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.66
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-difluoro-4-prop-2-enylphenyl)-2-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]pyridine
CID 70265006
3-fluoro-4-[6-[4-(6-pentoxyhept-1-enyl)phenyl]-3-pyridinyl]phenol
CID 70264003
2-[4-(3-fluoro-4-prop-2-enylphenyl)phenyl]-5-[(E)-6-pentoxyhept-1-enyl]pyridine
CID 70260749
2-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70264415
2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine
CID 70265327
2-(2,3-difluoro-4-prop-2-enylphenyl)-5-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]pyridine
CID 70264236
5-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-2-(4-prop-2-enoxyphenyl)pyrimidine
CID 70265189
6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol
CID 70262722
2-[(E)-6-pentoxyhept-1-enyl]-5-[4-(4-prop-2-enylphenyl)phenyl]pyrimidine
CID 70264469
7-[3-fluoro-4-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263548
3-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enoxypyridazine
CID 70263112
4-[6-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-3-pyridinyl]phenol
CID 70264761

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine?
The IUPAC name of 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine (CID 70263243) is 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine.
What is the SMILES notation for 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine?
The canonical SMILES for 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine is C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3F)cn2)cc1.
What is the InChIKey of 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine?
The InChIKey is VCYJLWOBVRUVME-UKTHLTGXSA-N. The full InChI is InChI=1S/C32H38FNO/c1-4-6-10-22-35-25(3)12-8-7-9-13-27-16-20-30(31(33)23-27)29-19-21-32(34-24-29)28-17-14-26(11-5-2)15-18-28/h5,9,13-21,23-25H,2,4,6-8,10-12,22H2,1,3H3/b13-9+.
What are the key properties of 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine?
5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine has a molecular weight of 471.66 g/mol, XLogP of 9.06, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine is sourced from PubChem (CID 70263243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).