[2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite

C27H22N4O6P2 — CID 58610931

IUPAC[2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite
SMILESc1ccc(OP(OCc2ccccc2OP(Oc2ccccn2)Oc2ccccn2)Oc2ccccn2)nc1
InChIInChI=1S/C27H22N4O6P2/c1-2-12-23(33-39(36-26-15-5-9-19-30-26)37-27-16-6-10-20-31-27)22(11-1)21-32-38(34-24-13-3-7-17-28-24)35-25-14-4-8-18-29-25/h1-20H,21H2
InChIKeyKHDDHTHZQOQTRY-UHFFFAOYSA-N
MW560.44 g/mol
LogP6.93
Rot. Bonds13

About [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite

[2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite (PubChem CID 58610931) has the molecular formula C27H22N4O6P2 and a molecular weight of 560.44 g/mol. Its IUPAC name is [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite.

Molecular Properties

Compound Name[2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite
PubChem CID58610931
Molecular FormulaC27H22N4O6P2
Molecular Weight560.44 g/mol
Exact Mass560.10
IUPAC Name[2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite
SMILESc1ccc(OP(OCc2ccccc2OP(Oc2ccccn2)Oc2ccccn2)Oc2ccccn2)nc1
InChIInChI=1S/C27H22N4O6P2/c1-2-12-23(33-39(36-26-15-5-9-19-30-26)37-27-16-6-10-20-31-27)22(11-1)21-32-38(34-24-13-3-7-17-28-24)35-25-14-4-8-18-29-25/h1-20H,21H2
InChIKeyKHDDHTHZQOQTRY-UHFFFAOYSA-N
XLogP6.93
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.44
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite?
The IUPAC name of [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite (CID 58610931) is [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite.
What is the SMILES notation for [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite?
The canonical SMILES for [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite is c1ccc(OP(OCc2ccccc2OP(Oc2ccccn2)Oc2ccccn2)Oc2ccccn2)nc1.
What is the InChIKey of [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite?
The InChIKey is KHDDHTHZQOQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O6P2/c1-2-12-23(33-39(36-26-15-5-9-19-30-26)37-27-16-6-10-20-31-27)22(11-1)21-32-38(34-24-13-3-7-17-28-24)35-25-14-4-8-18-29-25/h1-20H,21H2.
What are the key properties of [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite?
[2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite has a molecular weight of 560.44 g/mol, XLogP of 6.93, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipyridin-2-yloxyphosphanyloxymethyl)phenyl] dipyridin-2-yl phosphite is sourced from PubChem (CID 58610931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).