[2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite

C34H30N4O6P2Si — CID 58931712

IUPAC[2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite
SMILESC[Si](C)(c1ccccc1OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C34H30N4O6P2Si/c1-47(2,29-17-5-3-15-27(29)39-45(41-31-19-7-11-23-35-31)42-32-20-8-12-24-36-32)30-18-6-4-16-28(30)40-46(43-33-21-9-13-25-37-33)44-34-22-10-14-26-38-34/h3-26H,1-2H3
InChIKeyWCSLAIFJBUFTIE-UHFFFAOYSA-N
MW680.67 g/mol
LogP7.62
Rot. Bonds14

About [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite

[2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite (PubChem CID 58931712) has the molecular formula C34H30N4O6P2Si and a molecular weight of 680.67 g/mol. Its IUPAC name is [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite.

Molecular Properties

Compound Name[2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite
PubChem CID58931712
Molecular FormulaC34H30N4O6P2Si
Molecular Weight680.67 g/mol
Exact Mass680.14
IUPAC Name[2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite
SMILESC[Si](C)(c1ccccc1OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1
InChIInChI=1S/C34H30N4O6P2Si/c1-47(2,29-17-5-3-15-27(29)39-45(41-31-19-7-11-23-35-31)42-32-20-8-12-24-36-32)30-18-6-4-16-28(30)40-46(43-33-21-9-13-25-37-33)44-34-22-10-14-26-38-34/h3-26H,1-2H3
InChIKeyWCSLAIFJBUFTIE-UHFFFAOYSA-N
XLogP7.62
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.67
LogP ≤ 57.62
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-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite?
The IUPAC name of [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite (CID 58931712) is [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite.
What is the SMILES notation for [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite?
The canonical SMILES for [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite is C[Si](C)(c1ccccc1OP(Oc1ccccn1)Oc1ccccn1)c1ccccc1OP(Oc1ccccn1)Oc1ccccn1.
What is the InChIKey of [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite?
The InChIKey is WCSLAIFJBUFTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O6P2Si/c1-47(2,29-17-5-3-15-27(29)39-45(41-31-19-7-11-23-35-31)42-32-20-8-12-24-36-32)30-18-6-4-16-28(30)40-46(43-33-21-9-13-25-37-33)44-34-22-10-14-26-38-34/h3-26H,1-2H3.
What are the key properties of [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite?
[2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite has a molecular weight of 680.67 g/mol, XLogP of 7.62, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-dipyridin-2-yloxyphosphanyloxyphenyl)-dimethylsilyl]phenyl] dipyridin-2-yl phosphite is sourced from PubChem (CID 58931712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).