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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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).