2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine

C38H20F8N2Si — CID 54183493

IUPAC2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine
SMILESFc1nc(F)c(F)c(C2=C(c3ccccc3)C(c3ccccc3)=C(c3c(F)c(F)nc(F)c3F)[Si]2(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C38H20F8N2Si/c39-29-27(30(40)36(44)47-35(29)43)33-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)34(28-31(41)37(45)48-38(46)32(28)42)49(33,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyPDMWFFOBVFPQJP-UHFFFAOYSA-N
MW684.66 g/mol
LogP8.47
Rot. Bonds6

About 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine

2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine (PubChem CID 54183493) has the molecular formula C38H20F8N2Si and a molecular weight of 684.66 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine
PubChem CID54183493
Molecular FormulaC38H20F8N2Si
Molecular Weight684.66 g/mol
Exact Mass684.13
IUPAC Name2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine
SMILESFc1nc(F)c(F)c(C2=C(c3ccccc3)C(c3ccccc3)=C(c3c(F)c(F)nc(F)c3F)[Si]2(c2ccccc2)c2ccccc2)c1F
InChIInChI=1S/C38H20F8N2Si/c39-29-27(30(40)36(44)47-35(29)43)33-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)34(28-31(41)37(45)48-38(46)32(28)42)49(33,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyPDMWFFOBVFPQJP-UHFFFAOYSA-N
XLogP8.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.66
LogP ≤ 58.47
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 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine (CID 54183493) is 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine is Fc1nc(F)c(F)c(C2=C(c3ccccc3)C(c3ccccc3)=C(c3c(F)c(F)nc(F)c3F)[Si]2(c2ccccc2)c2ccccc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine?
The InChIKey is PDMWFFOBVFPQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F8N2Si/c39-29-27(30(40)36(44)47-35(29)43)33-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)34(28-31(41)37(45)48-38(46)32(28)42)49(33,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine?
2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine has a molecular weight of 684.66 g/mol, XLogP of 8.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[1,1,3,4-tetraphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]pyridine is sourced from PubChem (CID 54183493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).