tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane

C24H5F15Si — CID 12031056

IUPACtris(2,3,4,5,6-pentafluorophenyl)-phenylsilane
SMILESFc1c(F)c(F)c([Si](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H5F15Si/c25-7-10(28)16(34)22(17(35)11(7)29)40(6-4-2-1-3-5-6,23-18(36)12(30)8(26)13(31)19(23)37)24-20(38)14(32)9(27)15(33)21(24)39/h1-5H
InChIKeyGBSULCDLAMWZRU-UHFFFAOYSA-N
MW606.36 g/mol
LogP5.15
Rot. Bonds4

About tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane

tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane (PubChem CID 12031056) has the molecular formula C24H5F15Si and a molecular weight of 606.36 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-phenylsilane
PubChem CID12031056
Molecular FormulaC24H5F15Si
Molecular Weight606.36 g/mol
Exact Mass605.99
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-phenylsilane
SMILESFc1c(F)c(F)c([Si](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24H5F15Si/c25-7-10(28)16(34)22(17(35)11(7)29)40(6-4-2-1-3-5-6,23-18(36)12(30)8(26)13(31)19(23)37)24-20(38)14(32)9(27)15(33)21(24)39/h1-5H
InChIKeyGBSULCDLAMWZRU-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane (CID 12031056) is tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane is Fc1c(F)c(F)c([Si](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane?
The InChIKey is GBSULCDLAMWZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H5F15Si/c25-7-10(28)16(34)22(17(35)11(7)29)40(6-4-2-1-3-5-6,23-18(36)12(30)8(26)13(31)19(23)37)24-20(38)14(32)9(27)15(33)21(24)39/h1-5H.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane?
tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane has a molecular weight of 606.36 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-phenylsilane is sourced from PubChem (CID 12031056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).