3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine

C26H22N4Si — CID 18792361

IUPAC3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine
SMILESC[Si]1(C)C(c2cccnn2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccnn1
InChIInChI=1S/C26H22N4Si/c1-31(2)25(21-15-9-17-27-29-21)23(19-11-5-3-6-12-19)24(20-13-7-4-8-14-20)26(31)22-16-10-18-28-30-22/h3-18H,1-2H3
InChIKeyTYHUFRQRGYZONJ-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.59
Rot. Bonds4

About 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine

3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine (PubChem CID 18792361) has the molecular formula C26H22N4Si and a molecular weight of 418.58 g/mol. Its IUPAC name is 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine.

Molecular Properties

Compound Name3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine
PubChem CID18792361
Molecular FormulaC26H22N4Si
Molecular Weight418.58 g/mol
Exact Mass418.16
IUPAC Name3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine
SMILESC[Si]1(C)C(c2cccnn2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccnn1
InChIInChI=1S/C26H22N4Si/c1-31(2)25(21-15-9-17-27-29-21)23(19-11-5-3-6-12-19)24(20-13-7-4-8-14-20)26(31)22-16-10-18-28-30-22/h3-18H,1-2H3
InChIKeyTYHUFRQRGYZONJ-UHFFFAOYSA-N
XLogP5.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.59
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 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine?
The IUPAC name of 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine (CID 18792361) is 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine.
What is the SMILES notation for 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine?
The canonical SMILES for 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine is C[Si]1(C)C(c2cccnn2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccnn1.
What is the InChIKey of 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine?
The InChIKey is TYHUFRQRGYZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4Si/c1-31(2)25(21-15-9-17-27-29-21)23(19-11-5-3-6-12-19)24(20-13-7-4-8-14-20)26(31)22-16-10-18-28-30-22/h3-18H,1-2H3.
What are the key properties of 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine?
3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine has a molecular weight of 418.58 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine is sourced from PubChem (CID 18792361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).