diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane

C26H27N3O2Si — CID 137329486

IUPACdiethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane
SMILESCCO[SiH](OCC)c1ccnc(-c2cc(-c3ccc(C)cc3)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C26H27N3O2Si/c1-4-30-32(31-5-2)22-13-15-28-24(18-22)26-17-21(20-11-9-19(3)10-12-20)16-25(29-26)23-8-6-7-14-27-23/h6-18,32H,4-5H2,1-3H3
InChIKeyDRKYZRULTIYWCX-UHFFFAOYSA-N
MW441.61 g/mol
LogP4.68
Rot. Bonds8

About diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane

diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane (PubChem CID 137329486) has the molecular formula C26H27N3O2Si and a molecular weight of 441.61 g/mol. Its IUPAC name is diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane.

Molecular Properties

Compound Namediethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane
PubChem CID137329486
Molecular FormulaC26H27N3O2Si
Molecular Weight441.61 g/mol
Exact Mass441.19
IUPAC Namediethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane
SMILESCCO[SiH](OCC)c1ccnc(-c2cc(-c3ccc(C)cc3)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C26H27N3O2Si/c1-4-30-32(31-5-2)22-13-15-28-24(18-22)26-17-21(20-11-9-19(3)10-12-20)16-25(29-26)23-8-6-7-14-27-23/h6-18,32H,4-5H2,1-3H3
InChIKeyDRKYZRULTIYWCX-UHFFFAOYSA-N
XLogP4.68
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.61
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane?
The IUPAC name of diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane (CID 137329486) is diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane.
What is the SMILES notation for diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane?
The canonical SMILES for diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane is CCO[SiH](OCC)c1ccnc(-c2cc(-c3ccc(C)cc3)cc(-c3ccccn3)n2)c1.
What is the InChIKey of diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane?
The InChIKey is DRKYZRULTIYWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2Si/c1-4-30-32(31-5-2)22-13-15-28-24(18-22)26-17-21(20-11-9-19(3)10-12-20)16-25(29-26)23-8-6-7-14-27-23/h6-18,32H,4-5H2,1-3H3.
What are the key properties of diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane?
diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane has a molecular weight of 441.61 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[2-[4-(4-methylphenyl)-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]silane is sourced from PubChem (CID 137329486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).