[2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite

C28H26N4O6P2Si — CID 58610949

IUPAC[2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite
SMILESC[Si](C)(OP(Oc1cccnc1)Oc1cccnc1)c1ccccc1OP(Oc1cccnc1)Oc1cccnc1
InChIInChI=1S/C28H26N4O6P2Si/c1-41(2,38-40(35-25-11-7-17-31-21-25)36-26-12-8-18-32-22-26)28-14-4-3-13-27(28)37-39(33-23-9-5-15-29-19-23)34-24-10-6-16-30-20-24/h3-22H,1-2H3
InChIKeyJLZJXOHAUOPACM-UHFFFAOYSA-N
MW604.57 g/mol
LogP6.84
Rot. Bonds13

About [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite

[2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite (PubChem CID 58610949) has the molecular formula C28H26N4O6P2Si and a molecular weight of 604.57 g/mol. Its IUPAC name is [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite.

Molecular Properties

Compound Name[2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite
PubChem CID58610949
Molecular FormulaC28H26N4O6P2Si
Molecular Weight604.57 g/mol
Exact Mass604.11
IUPAC Name[2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite
SMILESC[Si](C)(OP(Oc1cccnc1)Oc1cccnc1)c1ccccc1OP(Oc1cccnc1)Oc1cccnc1
InChIInChI=1S/C28H26N4O6P2Si/c1-41(2,38-40(35-25-11-7-17-31-21-25)36-26-12-8-18-32-22-26)28-14-4-3-13-27(28)37-39(33-23-9-5-15-29-19-23)34-24-10-6-16-30-20-24/h3-22H,1-2H3
InChIKeyJLZJXOHAUOPACM-UHFFFAOYSA-N
XLogP6.84
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.57
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite?
The IUPAC name of [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite (CID 58610949) is [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite.
What is the SMILES notation for [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite?
The canonical SMILES for [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite is C[Si](C)(OP(Oc1cccnc1)Oc1cccnc1)c1ccccc1OP(Oc1cccnc1)Oc1cccnc1.
What is the InChIKey of [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite?
The InChIKey is JLZJXOHAUOPACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O6P2Si/c1-41(2,38-40(35-25-11-7-17-31-21-25)36-26-12-8-18-32-22-26)28-14-4-3-13-27(28)37-39(33-23-9-5-15-29-19-23)34-24-10-6-16-30-20-24/h3-22H,1-2H3.
What are the key properties of [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite?
[2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite has a molecular weight of 604.57 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dipyridin-3-yloxyphosphanyloxy(dimethyl)silyl]phenyl] dipyridin-3-yl phosphite is sourced from PubChem (CID 58610949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).