2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene

C30H28F2 — CID 20679712

IUPAC2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)c(F)c2F)cc1
InChIInChI=1S/C30H28F2/c1-3-4-5-6-22-9-13-25(14-10-22)27-19-20-28(30(32)29(27)31)26-17-15-24(16-18-26)23-11-7-21(2)8-12-23/h7-20H,3-6H2,1-2H3
InChIKeyFVGMABHTSUQIBT-UHFFFAOYSA-N
MW426.55 g/mol
LogP9.01
Rot. Bonds7

About 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene

2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene (PubChem CID 20679712) has the molecular formula C30H28F2 and a molecular weight of 426.55 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
PubChem CID20679712
Molecular FormulaC30H28F2
Molecular Weight426.55 g/mol
Exact Mass426.22
IUPAC Name2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)c(F)c2F)cc1
InChIInChI=1S/C30H28F2/c1-3-4-5-6-22-9-13-25(14-10-22)27-19-20-28(30(32)29(27)31)26-17-15-24(16-18-26)23-11-7-21(2)8-12-23/h7-20H,3-6H2,1-2H3
InChIKeyFVGMABHTSUQIBT-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
6-butyl-1-fluoro-2-[4-(4-methylphenyl)phenyl]naphthalene;1-fluoro-2-[4-(4-methylphenyl)phenyl]-6-pentylnaphthalene
CID 18411080
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
2-fluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]-4-methylbenzene
CID 174355858
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637
1-[4-(4-dodecylphenyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 54557700
1-decoxy-2,3-difluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 54447288
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene (CID 20679712) is 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene?
The InChIKey is FVGMABHTSUQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2/c1-3-4-5-6-22-9-13-25(14-10-22)27-19-20-28(30(32)29(27)31)26-17-15-24(16-18-26)23-11-7-21(2)8-12-23/h7-20H,3-6H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene?
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene has a molecular weight of 426.55 g/mol, XLogP of 9.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 20679712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).