2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C30H25FN3O5P3 — CID 23417892

IUPAC2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESFP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1
InChIInChI=1S/C30H25FN3O5P3/c31-40(35-26-16-6-1-7-17-26)32-41(36-27-18-8-2-9-19-27,37-28-20-10-3-11-21-28)34-42(33-40,38-29-22-12-4-13-23-29)39-30-24-14-5-15-25-30/h1-25H
InChIKeyWDLZSMADUBPWIX-UHFFFAOYSA-N
MW619.47 g/mol
LogP11.20
Rot. Bonds10

About 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 23417892) has the molecular formula C30H25FN3O5P3 and a molecular weight of 619.47 g/mol. Its IUPAC name is 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID23417892
Molecular FormulaC30H25FN3O5P3
Molecular Weight619.47 g/mol
Exact Mass619.10
IUPAC Name2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESFP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1
InChIInChI=1S/C30H25FN3O5P3/c31-40(35-26-16-6-1-7-17-26)32-41(36-27-18-8-2-9-19-27,37-28-20-10-3-11-21-28)34-42(33-40,38-29-22-12-4-13-23-29)39-30-24-14-5-15-25-30/h1-25H
InChIKeyWDLZSMADUBPWIX-UHFFFAOYSA-N
XLogP11.20
TPSA83.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.47
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-fluoro-2,4,4,6,6-pentaphenoxy-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-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 23417892) is 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is FP1(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=NP(Oc2ccccc2)(Oc2ccccc2)=N1.
What is the InChIKey of 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is WDLZSMADUBPWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN3O5P3/c31-40(35-26-16-6-1-7-17-26)32-41(36-27-18-8-2-9-19-27,37-28-20-10-3-11-21-28)34-42(33-40,38-29-22-12-4-13-23-29)39-30-24-14-5-15-25-30/h1-25H.
What are the key properties of 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 619.47 g/mol, XLogP of 11.20, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 23417892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).