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

C29H18F8N2Si — CID 18792507

IUPAC4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESCC[Si]1(C)C(c2c(F)c(F)nc(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C29H18F8N2Si/c1-3-40(2)24(18-20(30)26(34)38-27(35)21(18)31)16(14-10-6-4-7-11-14)17(15-12-8-5-9-13-15)25(40)19-22(32)28(36)39-29(37)23(19)33/h4-13H,3H2,1-2H3
InChIKeyOPHIZRZLNIXDQR-UHFFFAOYSA-N
MW574.55 g/mol
LogP8.30
Rot. Bonds5

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

4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine (PubChem CID 18792507) has the molecular formula C29H18F8N2Si and a molecular weight of 574.55 g/mol. Its IUPAC name is 4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
PubChem CID18792507
Molecular FormulaC29H18F8N2Si
Molecular Weight574.55 g/mol
Exact Mass574.11
IUPAC Name4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
SMILESCC[Si]1(C)C(c2c(F)c(F)nc(F)c2F)=C(c2ccccc2)C(c2ccccc2)=C1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C29H18F8N2Si/c1-3-40(2)24(18-20(30)26(34)38-27(35)21(18)31)16(14-10-6-4-7-11-14)17(15-12-8-5-9-13-15)25(40)19-22(32)28(36)39-29(37)23(19)33/h4-13H,3H2,1-2H3
InChIKeyOPHIZRZLNIXDQR-UHFFFAOYSA-N
XLogP8.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 58.30
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'}

Analyze 4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-1-methyl-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-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine (CID 18792507) is 4-[1-ethyl-1-methyl-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-ethyl-1-methyl-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-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine is CC[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-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
The InChIKey is OPHIZRZLNIXDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F8N2Si/c1-3-40(2)24(18-20(30)26(34)38-27(35)21(18)31)16(14-10-6-4-7-11-14)17(15-12-8-5-9-13-15)25(40)19-22(32)28(36)39-29(37)23(19)33/h4-13H,3H2,1-2H3.
What are the key properties of 4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine?
4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine has a molecular weight of 574.55 g/mol, XLogP of 8.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 18792507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).