[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane

C28H32FP — CID 142376956

IUPAC[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CC/C=C(\C)P)cc3)c(F)c2)cc1
InChIInChI=1S/C28H32FP/c1-3-4-5-8-22-10-14-24(15-11-22)26-18-19-27(28(29)20-26)25-16-12-23(13-17-25)9-6-7-21(2)30/h7,10-20H,3-6,8-9,30H2,1-2H3/b21-7+
InChIKeyRKINYIIJOPCBQO-QPSGOUHRSA-N
MW418.54 g/mol
LogP8.60
Rot. Bonds9

About [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane

[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane (PubChem CID 142376956) has the molecular formula C28H32FP and a molecular weight of 418.54 g/mol. Its IUPAC name is [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane.

Molecular Properties

Compound Name[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane
PubChem CID142376956
Molecular FormulaC28H32FP
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC Name[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CC/C=C(\C)P)cc3)c(F)c2)cc1
InChIInChI=1S/C28H32FP/c1-3-4-5-8-22-10-14-24(15-11-22)26-18-19-27(28(29)20-26)25-16-12-23(13-17-25)9-6-7-21(2)30/h7,10-20H,3-6,8-9,30H2,1-2H3/b21-7+
InChIKeyRKINYIIJOPCBQO-QPSGOUHRSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(4-butylphenyl)-2-fluoro-1-[4-[(Z)-4-fluoropent-3-enyl]phenyl]benzene
CID 158187242
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
N-[[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]methyl]butan-1-amine
CID 162060270
1,4-bis(4-butylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-propylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-(4-pentylphenyl)benzene;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 159443405
1-(4-butylphenyl)-4-(4-ethylphenyl)-2,3-difluorobenzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 165099168
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane?
The IUPAC name of [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane (CID 142376956) is [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane.
What is the SMILES notation for [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane?
The canonical SMILES for [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane is CCCCCc1ccc(-c2ccc(-c3ccc(CC/C=C(\C)P)cc3)c(F)c2)cc1.
What is the InChIKey of [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane?
The InChIKey is RKINYIIJOPCBQO-QPSGOUHRSA-N. The full InChI is InChI=1S/C28H32FP/c1-3-4-5-8-22-10-14-24(15-11-22)26-18-19-27(28(29)20-26)25-16-12-23(13-17-25)9-6-7-21(2)30/h7,10-20H,3-6,8-9,30H2,1-2H3/b21-7+.
What are the key properties of [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane?
[(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane has a molecular weight of 418.54 g/mol, XLogP of 8.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]pent-2-en-2-yl]phosphane is sourced from PubChem (CID 142376956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).