4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine

C36H24F8N2Si — CID 18792486

IUPAC4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESCC(C)(C)[Si]1(c2ccccc2)C(c2c(F)c(F)nc(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C36H24F8N2Si/c1-36(2,3)47(21-17-11-6-12-18-21)30(24-26(37)32(41)45-33(42)27(24)38)22(19-13-7-4-8-14-19)23(20-15-9-5-10-16-20)31(47)25-28(39)34(43)46-35(44)29(25)40/h4-18H,1-3H3
InChIKeyJGMGTTSBEMRMRK-UHFFFAOYSA-N
MW664.67 g/mol
LogP9.36
Rot. Bonds5

About 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine

4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine (PubChem CID 18792486) has the molecular formula C36H24F8N2Si and a molecular weight of 664.67 g/mol. Its IUPAC name is 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
PubChem CID18792486
Molecular FormulaC36H24F8N2Si
Molecular Weight664.67 g/mol
Exact Mass664.16
IUPAC Name4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESCC(C)(C)[Si]1(c2ccccc2)C(c2c(F)c(F)nc(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C36H24F8N2Si/c1-36(2,3)47(21-17-11-6-12-18-21)30(24-26(37)32(41)45-33(42)27(24)38)22(19-13-7-4-8-14-19)23(20-15-9-5-10-16-20)31(47)25-28(39)34(43)46-35(44)29(25)40/h4-18H,1-3H3
InChIKeyJGMGTTSBEMRMRK-UHFFFAOYSA-N
XLogP9.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.67
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine (CID 18792486) is 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine is CC(C)(C)[Si]1(c2ccccc2)C(c2c(F)c(F)nc(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
The InChIKey is JGMGTTSBEMRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F8N2Si/c1-36(2,3)47(21-17-11-6-12-18-21)30(24-26(37)32(41)45-33(42)27(24)38)22(19-13-7-4-8-14-19)23(20-15-9-5-10-16-20)31(47)25-28(39)34(43)46-35(44)29(25)40/h4-18H,1-3H3.
What are the key properties of 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine has a molecular weight of 664.67 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-tert-butyl-1,3,4-triphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 18792486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).