2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C30H24N9O6P3 — CID 100946971

IUPAC2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESc1cncc(OP2(Oc3cccnc3)=NP(Oc3cccnc3)(Oc3cccnc3)=NP(Oc3cccnc3)(Oc3cccnc3)=N2)c1
InChIInChI=1S/C30H24N9O6P3/c1-7-25(19-31-13-1)40-46(41-26-8-2-14-32-20-26)37-47(42-27-9-3-15-33-21-27,43-28-10-4-16-34-22-28)39-48(38-46,44-29-11-5-17-35-23-29)45-30-12-6-18-36-24-30/h1-24H
InChIKeyOKAQHBFUFSAEBJ-UHFFFAOYSA-N
MW699.50 g/mol
LogP8.68
Rot. Bonds12

About 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 100946971) has the molecular formula C30H24N9O6P3 and a molecular weight of 699.50 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID100946971
Molecular FormulaC30H24N9O6P3
Molecular Weight699.50 g/mol
Exact Mass699.11
IUPAC Name2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESc1cncc(OP2(Oc3cccnc3)=NP(Oc3cccnc3)(Oc3cccnc3)=NP(Oc3cccnc3)(Oc3cccnc3)=N2)c1
InChIInChI=1S/C30H24N9O6P3/c1-7-25(19-31-13-1)40-46(41-26-8-2-14-32-20-26)37-47(42-27-9-3-15-33-21-27,43-28-10-4-16-34-22-28)39-48(38-46,44-29-11-5-17-35-23-29)45-30-12-6-18-36-24-30/h1-24H
InChIKeyOKAQHBFUFSAEBJ-UHFFFAOYSA-N
XLogP8.68
TPSA169.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500699.50
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 100946971) is 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is c1cncc(OP2(Oc3cccnc3)=NP(Oc3cccnc3)(Oc3cccnc3)=NP(Oc3cccnc3)(Oc3cccnc3)=N2)c1.
What is the InChIKey of 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is OKAQHBFUFSAEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N9O6P3/c1-7-25(19-31-13-1)40-46(41-26-8-2-14-32-20-26)37-47(42-27-9-3-15-33-21-27,43-28-10-4-16-34-22-28)39-48(38-46,44-29-11-5-17-35-23-29)45-30-12-6-18-36-24-30/h1-24H.
What are the key properties of 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 699.50 g/mol, XLogP of 8.68, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexapyridin-3-yloxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 100946971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).