2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene

C36H41F — CID 126610190

IUPAC2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene
SMILESC/C=C/CCc1ccc(C/C=C/Cc2ccc(C/C=C/Cc3ccc(CC/C=C/C)c(F)c3)cc2)cc1
InChIInChI=1S/C36H41F/c1-3-5-7-13-30-19-21-31(22-20-30)14-9-10-15-32-23-25-33(26-24-32)16-11-12-17-34-27-28-35(36(37)29-34)18-8-6-4-2/h3-6,9-12,19-29H,7-8,13-18H2,1-2H3/b5-3+,6-4+,10-9+,12-11+
InChIKeyJVYXDNHBOLBUJN-PMLDGNBNSA-N
MW492.72 g/mol
LogP9.53
Rot. Bonds14

About 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene

2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene (PubChem CID 126610190) has the molecular formula C36H41F and a molecular weight of 492.72 g/mol. Its IUPAC name is 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene
PubChem CID126610190
Molecular FormulaC36H41F
Molecular Weight492.72 g/mol
Exact Mass492.32
IUPAC Name2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene
SMILESC/C=C/CCc1ccc(C/C=C/Cc2ccc(C/C=C/Cc3ccc(CC/C=C/C)c(F)c3)cc2)cc1
InChIInChI=1S/C36H41F/c1-3-5-7-13-30-19-21-31(22-20-30)14-9-10-15-32-23-25-33(26-24-32)16-11-12-17-34-27-28-35(36(37)29-34)18-8-6-4-2/h3-6,9-12,19-29H,7-8,13-18H2,1-2H3/b5-3+,6-4+,10-9+,12-11+
InChIKeyJVYXDNHBOLBUJN-PMLDGNBNSA-N
XLogP9.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.72
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene with MolForge

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Related Compounds

1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene
CID 89277560
2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 76621394
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
[4-[3-fluoro-4-[(E)-pent-3-enyl]phenyl]phenyl] 4-[(E)-pent-3-enyl]benzoate
CID 126610422
2-fluoro-4-[(2R,4Z,6Z)-2-fluoronona-4,6,8-trienyl]-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]benzene
CID 89277398
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-[4-[4-[(E)-pent-3-enyl]phenyl]phenoxy]methanol
CID 126620452
1-fluoro-2-[(E)-pent-3-enyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139875921

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene?
The IUPAC name of 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene (CID 126610190) is 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene.
What is the SMILES notation for 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene?
The canonical SMILES for 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene is C/C=C/CCc1ccc(C/C=C/Cc2ccc(C/C=C/Cc3ccc(CC/C=C/C)c(F)c3)cc2)cc1.
What is the InChIKey of 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene?
The InChIKey is JVYXDNHBOLBUJN-PMLDGNBNSA-N. The full InChI is InChI=1S/C36H41F/c1-3-5-7-13-30-19-21-31(22-20-30)14-9-10-15-32-23-25-33(26-24-32)16-11-12-17-34-27-28-35(36(37)29-34)18-8-6-4-2/h3-6,9-12,19-29H,7-8,13-18H2,1-2H3/b5-3+,6-4+,10-9+,12-11+.
What are the key properties of 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene?
2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene has a molecular weight of 492.72 g/mol, XLogP of 9.53, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene is sourced from PubChem (CID 126610190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).