1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene

C27H18F4 — CID 77470910

IUPAC1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene
SMILESCc1ccc(C=Cc2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C27H18F4/c1-17-7-11-21(25(29)24(17)28)14-10-18-8-12-20(13-9-18)23-16-15-22(26(30)27(23)31)19-5-3-2-4-6-19/h2-16H,1H3
InChIKeyDLZPVPNGRAMDGW-UHFFFAOYSA-N
MW418.43 g/mol
LogP8.06
Rot. Bonds4

About 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene

1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene (PubChem CID 77470910) has the molecular formula C27H18F4 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene.

Molecular Properties

Compound Name1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene
PubChem CID77470910
Molecular FormulaC27H18F4
Molecular Weight418.43 g/mol
Exact Mass418.13
IUPAC Name1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene
SMILESCc1ccc(C=Cc2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C27H18F4/c1-17-7-11-21(25(29)24(17)28)14-10-18-8-12-20(13-9-18)23-16-15-22(26(30)27(23)31)19-5-3-2-4-6-19/h2-16H,1H3
InChIKeyDLZPVPNGRAMDGW-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.43
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-(5,6-difluoro-4-phenylcyclohexa-1,3-dien-1-yl)phenyl]ethenyl]-2,3-difluoro-4-methylbenzene
CID 143909617
1-[(E)-2-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]ethenyl]-2,3-difluoro-4-methylbenzene
CID 58141764
1-butyl-4-[4-[(E)-2-(4-ethyl-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 88997553
1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 77470915
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
2-[4-[4-[(E)-2-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethenyl]phenyl]-2,3-difluorophenyl]oxirane
CID 89124530
9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123373226
2-fluoro-6-methyl-3-phenylphenol
CID 66800848
1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89139958
1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
CID 58140910
2-[4-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88997622
1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 77470460

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene?
The IUPAC name of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene (CID 77470910) is 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene.
What is the SMILES notation for 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene?
The canonical SMILES for 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene is Cc1ccc(C=Cc2ccc(-c3ccc(-c4ccccc4)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene?
The InChIKey is DLZPVPNGRAMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4/c1-17-7-11-21(25(29)24(17)28)14-10-18-8-12-20(13-9-18)23-16-15-22(26(30)27(23)31)19-5-3-2-4-6-19/h2-16H,1H3.
What are the key properties of 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene?
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene has a molecular weight of 418.43 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene is sourced from PubChem (CID 77470910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).