[4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane

C25H23F3N2OSi — CID 15891228

IUPAC[4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane
SMILESCOc1ccc(-c2c([Si](C)(C)C)nnc3c(-c4ccc(C(F)(F)F)cc4)cccc23)cc1
InChIInChI=1S/C25H23F3N2OSi/c1-31-19-14-10-17(11-15-19)22-21-7-5-6-20(23(21)29-30-24(22)32(2,3)4)16-8-12-18(13-9-16)25(26,27)28/h5-15H,1-4H3
InChIKeyJPVDZEVHKOCKNC-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.54
Rot. Bonds4

About [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane

[4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane (PubChem CID 15891228) has the molecular formula C25H23F3N2OSi and a molecular weight of 452.55 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane
PubChem CID15891228
Molecular FormulaC25H23F3N2OSi
Molecular Weight452.55 g/mol
Exact Mass452.15
IUPAC Name[4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane
SMILESCOc1ccc(-c2c([Si](C)(C)C)nnc3c(-c4ccc(C(F)(F)F)cc4)cccc23)cc1
InChIInChI=1S/C25H23F3N2OSi/c1-31-19-14-10-17(11-15-19)22-21-7-5-6-20(23(21)29-30-24(22)32(2,3)4)16-8-12-18(13-9-16)25(26,27)28/h5-15H,1-4H3
InChIKeyJPVDZEVHKOCKNC-UHFFFAOYSA-N
XLogP6.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane?
The IUPAC name of [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane (CID 15891228) is [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane.
What is the SMILES notation for [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane?
The canonical SMILES for [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane is COc1ccc(-c2c([Si](C)(C)C)nnc3c(-c4ccc(C(F)(F)F)cc4)cccc23)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane?
The InChIKey is JPVDZEVHKOCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2OSi/c1-31-19-14-10-17(11-15-19)22-21-7-5-6-20(23(21)29-30-24(22)32(2,3)4)16-8-12-18(13-9-16)25(26,27)28/h5-15H,1-4H3.
What are the key properties of [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane?
[4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane has a molecular weight of 452.55 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnolin-3-yl]-trimethylsilane is sourced from PubChem (CID 15891228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).