1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene

C26H18F2 — CID 71376552

IUPAC1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
SMILESFc1ccc(C(=C(c2ccccc2)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H18F2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18H
InChIKeyOTJAHHRNTCQOKE-UHFFFAOYSA-N
MW368.43 g/mol
LogP6.97
Rot. Bonds4

About 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene

1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene (PubChem CID 71376552) has the molecular formula C26H18F2 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
PubChem CID71376552
Molecular FormulaC26H18F2
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
SMILESFc1ccc(C(=C(c2ccccc2)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H18F2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18H
InChIKeyOTJAHHRNTCQOKE-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 56.97
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

(4-fluorophenyl)-phenylmethanone
CID 161464622
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
2-fluoro-5-(1,2,2-triphenylethenyl)pyridine
CID 167442654
4-[(Z)-2-bromo-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101070753
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
phenol;1,2,2-triphenylethenylbenzene
CID 159416986
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
1-fluoro-4-[(Z)-3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylprop-1-enyl]benzene
CID 21274917

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene (CID 71376552) is 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene is Fc1ccc(C(=C(c2ccccc2)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene?
The InChIKey is OTJAHHRNTCQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18H.
What are the key properties of 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene?
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene has a molecular weight of 368.43 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene is sourced from PubChem (CID 71376552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).