2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine

C38H27F3N4Si — CID 153279013

IUPAC2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine
SMILESC[Si]1(C(F)(F)F)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1
InChIInChI=1S/C38H27F3N4Si/c1-46(38(39,40)41)36(32-22-12-20-30(44-32)28-18-8-10-24-42-28)34(26-14-4-2-5-15-26)35(27-16-6-3-7-17-27)37(46)33-23-13-21-31(45-33)29-19-9-11-25-43-29/h2-25H,1H3
InChIKeyMTOOGMRMUUPVJV-UHFFFAOYSA-N
MW624.74 g/mol
LogP9.39
Rot. Bonds6

About 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine

2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine (PubChem CID 153279013) has the molecular formula C38H27F3N4Si and a molecular weight of 624.74 g/mol. Its IUPAC name is 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine
PubChem CID153279013
Molecular FormulaC38H27F3N4Si
Molecular Weight624.74 g/mol
Exact Mass624.20
IUPAC Name2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine
SMILESC[Si]1(C(F)(F)F)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1
InChIInChI=1S/C38H27F3N4Si/c1-46(38(39,40)41)36(32-22-12-20-30(44-32)28-18-8-10-24-42-28)34(26-14-4-2-5-15-26)35(27-16-6-3-7-17-27)37(46)33-23-13-21-31(45-33)29-19-9-11-25-43-29/h2-25H,1H3
InChIKeyMTOOGMRMUUPVJV-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine (CID 153279013) is 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine is C[Si]1(C(F)(F)F)C(c2cccc(-c3ccccn3)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine?
The InChIKey is MTOOGMRMUUPVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27F3N4Si/c1-46(38(39,40)41)36(32-22-12-20-30(44-32)28-18-8-10-24-42-28)34(26-14-4-2-5-15-26)35(27-16-6-3-7-17-27)37(46)33-23-13-21-31(45-33)29-19-9-11-25-43-29/h2-25H,1H3.
What are the key properties of 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine?
2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine has a molecular weight of 624.74 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)-1-(trifluoromethyl)silol-2-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 153279013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).