[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane

C36H49F3Si — CID 101047137

IUPAC[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[Si](F)(F)F)c(C(C)C)c1
InChIInChI=1S/C36H49F3Si/c1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)40(37,38)39)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12/h13-25H,1-12H3
InChIKeyPBHVEQPFDDBJEB-UHFFFAOYSA-N
MW566.87 g/mol
LogP11.82
Rot. Bonds9

About [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane

[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane (PubChem CID 101047137) has the molecular formula C36H49F3Si and a molecular weight of 566.87 g/mol. Its IUPAC name is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane.

Molecular Properties

Compound Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane
PubChem CID101047137
Molecular FormulaC36H49F3Si
Molecular Weight566.87 g/mol
Exact Mass566.36
IUPAC Name[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane
SMILESCC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[Si](F)(F)F)c(C(C)C)c1
InChIInChI=1S/C36H49F3Si/c1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)40(37,38)39)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12/h13-25H,1-12H3
InChIKeyPBHVEQPFDDBJEB-UHFFFAOYSA-N
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.87
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane?
The IUPAC name of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane (CID 101047137) is [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane.
What is the SMILES notation for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane?
The canonical SMILES for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane is CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2[Si](F)(F)F)c(C(C)C)c1.
What is the InChIKey of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane?
The InChIKey is PBHVEQPFDDBJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49F3Si/c1-20(2)26-16-30(22(5)6)34(31(17-26)23(7)8)28-14-13-15-29(36(28)40(37,38)39)35-32(24(9)10)18-27(21(3)4)19-33(35)25(11)12/h13-25H,1-12H3.
What are the key properties of [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane?
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane has a molecular weight of 566.87 g/mol, XLogP of 11.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-trifluorosilane is sourced from PubChem (CID 101047137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).