[5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane

C27H32F2Si2 — CID 175172059

IUPAC[5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane
SMILESCc1ccccc1/C(=C(\c1ccc(F)cc1)[Si](C)(C)C)c1ccc(F)cc1[Si](C)(C)C
InChIInChI=1S/C27H32F2Si2/c1-19-10-8-9-11-23(19)26(24-17-16-22(29)18-25(24)30(2,3)4)27(31(5,6)7)20-12-14-21(28)15-13-20/h8-18H,1-7H3/b27-26-
InChIKeyRLRGUTFGRIQZLM-RQZHXJHFSA-N
MW450.72 g/mol
LogP7.65
Rot. Bonds5

About [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane

[5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane (PubChem CID 175172059) has the molecular formula C27H32F2Si2 and a molecular weight of 450.72 g/mol. Its IUPAC name is [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane
PubChem CID175172059
Molecular FormulaC27H32F2Si2
Molecular Weight450.72 g/mol
Exact Mass450.20
IUPAC Name[5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane
SMILESCc1ccccc1/C(=C(\c1ccc(F)cc1)[Si](C)(C)C)c1ccc(F)cc1[Si](C)(C)C
InChIInChI=1S/C27H32F2Si2/c1-19-10-8-9-11-23(19)26(24-17-16-22(29)18-25(24)30(2,3)4)27(31(5,6)7)20-12-14-21(28)15-13-20/h8-18H,1-7H3/b27-26-
InChIKeyRLRGUTFGRIQZLM-RQZHXJHFSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.72
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane?
The IUPAC name of [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane (CID 175172059) is [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane?
The canonical SMILES for [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane is Cc1ccccc1/C(=C(\c1ccc(F)cc1)[Si](C)(C)C)c1ccc(F)cc1[Si](C)(C)C.
What is the InChIKey of [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane?
The InChIKey is RLRGUTFGRIQZLM-RQZHXJHFSA-N. The full InChI is InChI=1S/C27H32F2Si2/c1-19-10-8-9-11-23(19)26(24-17-16-22(29)18-25(24)30(2,3)4)27(31(5,6)7)20-12-14-21(28)15-13-20/h8-18H,1-7H3/b27-26-.
What are the key properties of [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane?
[5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane has a molecular weight of 450.72 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(Z)-2-(4-fluorophenyl)-1-(2-methylphenyl)-2-trimethylsilylethenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 175172059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).