4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine

C28H16F8N2Si — CID 54112441

IUPAC4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESC[Si]1(C)C(c2c(F)c(F)nc(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C28H16F8N2Si/c1-39(2)23(17-19(29)25(33)37-26(34)20(17)30)15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)24(39)18-21(31)27(35)38-28(36)22(18)32/h3-12H,1-2H3
InChIKeyNIASHSZFWBDSAQ-UHFFFAOYSA-N
MW560.52 g/mol
LogP7.91
Rot. Bonds4

About 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine

4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine (PubChem CID 54112441) has the molecular formula C28H16F8N2Si and a molecular weight of 560.52 g/mol. Its IUPAC name is 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
PubChem CID54112441
Molecular FormulaC28H16F8N2Si
Molecular Weight560.52 g/mol
Exact Mass560.10
IUPAC Name4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESC[Si]1(C)C(c2c(F)c(F)nc(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C28H16F8N2Si/c1-39(2)23(17-19(29)25(33)37-26(34)20(17)30)15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)24(39)18-21(31)27(35)38-28(36)22(18)32/h3-12H,1-2H3
InChIKeyNIASHSZFWBDSAQ-UHFFFAOYSA-N
XLogP7.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.52
LogP ≤ 57.91
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-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine (CID 54112441) is 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine is C[Si]1(C)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-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
The InChIKey is NIASHSZFWBDSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F8N2Si/c1-39(2)23(17-19(29)25(33)37-26(34)20(17)30)15(13-9-5-3-6-10-13)16(14-11-7-4-8-12-14)24(39)18-21(31)27(35)38-28(36)22(18)32/h3-12H,1-2H3.
What are the key properties of 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine has a molecular weight of 560.52 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-dimethyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 54112441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).