[2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite

C39H30N4O6P2 — CID 58610967

IUPAC[2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite
SMILESc1ccc(C(OP(Oc2ccccn2)Oc2ccccn2)(c2ccccc2)c2ccccc2OP(Oc2ccccn2)Oc2ccccn2)cc1
InChIInChI=1S/C39H30N4O6P2/c1-3-17-31(18-4-1)39(32-19-5-2-6-20-32,49-51(47-37-25-11-15-29-42-37)48-38-26-12-16-30-43-38)33-21-7-8-22-34(33)44-50(45-35-23-9-13-27-40-35)46-36-24-10-14-28-41-36/h1-30H
InChIKeyKPKFSDKYCVKPJC-UHFFFAOYSA-N
MW712.64 g/mol
LogP9.72
Rot. Bonds15

About [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite

[2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite (PubChem CID 58610967) has the molecular formula C39H30N4O6P2 and a molecular weight of 712.64 g/mol. Its IUPAC name is [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite.

Molecular Properties

Compound Name[2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite
PubChem CID58610967
Molecular FormulaC39H30N4O6P2
Molecular Weight712.64 g/mol
Exact Mass712.16
IUPAC Name[2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite
SMILESc1ccc(C(OP(Oc2ccccn2)Oc2ccccn2)(c2ccccc2)c2ccccc2OP(Oc2ccccn2)Oc2ccccn2)cc1
InChIInChI=1S/C39H30N4O6P2/c1-3-17-31(18-4-1)39(32-19-5-2-6-20-32,49-51(47-37-25-11-15-29-42-37)48-38-26-12-16-30-43-38)33-21-7-8-22-34(33)44-50(45-35-23-9-13-27-40-35)46-36-24-10-14-28-41-36/h1-30H
InChIKeyKPKFSDKYCVKPJC-UHFFFAOYSA-N
XLogP9.72
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.64
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite?
The IUPAC name of [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite (CID 58610967) is [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite.
What is the SMILES notation for [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite?
The canonical SMILES for [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite is c1ccc(C(OP(Oc2ccccn2)Oc2ccccn2)(c2ccccc2)c2ccccc2OP(Oc2ccccn2)Oc2ccccn2)cc1.
What is the InChIKey of [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite?
The InChIKey is KPKFSDKYCVKPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N4O6P2/c1-3-17-31(18-4-1)39(32-19-5-2-6-20-32,49-51(47-37-25-11-15-29-42-37)48-38-26-12-16-30-43-38)33-21-7-8-22-34(33)44-50(45-35-23-9-13-27-40-35)46-36-24-10-14-28-41-36/h1-30H.
What are the key properties of [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite?
[2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite has a molecular weight of 712.64 g/mol, XLogP of 9.72, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dipyridin-2-yloxyphosphanyloxy(diphenyl)methyl]phenyl] dipyridin-2-yl phosphite is sourced from PubChem (CID 58610967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).