2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

C42H42N3O6P3 — CID 66679687

IUPAC2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCc1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccc(C)cc3C)=NP(Oc3ccccc3)(Oc3ccc(C)cc3C)=N2)c(C)c1
InChIInChI=1S/C42H42N3O6P3/c1-31-22-25-40(34(4)28-31)49-52(46-37-16-10-7-11-17-37)43-53(47-38-18-12-8-13-19-38,50-41-26-23-32(2)29-35(41)5)45-54(44-52,48-39-20-14-9-15-21-39)51-42-27-24-33(3)30-36(42)6/h7-30H,1-6H3
InChIKeyYWIRPDLVQZNFEF-UHFFFAOYSA-N
MW777.74 g/mol
LogP14.16
Rot. Bonds12

About 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene

2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (PubChem CID 66679687) has the molecular formula C42H42N3O6P3 and a molecular weight of 777.74 g/mol. Its IUPAC name is 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
PubChem CID66679687
Molecular FormulaC42H42N3O6P3
Molecular Weight777.74 g/mol
Exact Mass777.23
IUPAC Name2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
SMILESCc1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccc(C)cc3C)=NP(Oc3ccccc3)(Oc3ccc(C)cc3C)=N2)c(C)c1
InChIInChI=1S/C42H42N3O6P3/c1-31-22-25-40(34(4)28-31)49-52(46-37-16-10-7-11-17-37)43-53(47-38-18-12-8-13-19-38,50-41-26-23-32(2)29-35(41)5)45-54(44-52,48-39-20-14-9-15-21-39)51-42-27-24-33(3)30-36(42)6/h7-30H,1-6H3
InChIKeyYWIRPDLVQZNFEF-UHFFFAOYSA-N
XLogP14.16
TPSA92.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.74
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,6,6,8,8-octakis(2-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 140957011
2-methoxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 139877927
2-methoxy-2,4,4,6,6-pentakis(3-methylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 139877948
2,2,4-triethoxy-4,6,6,8,8-pentaphenoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877983
2,4,6,8-tetramethoxy-2,4,6,8-tetrakis(3-methylphenoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877859
2-phenoxy-2,4,4,6,6,8,8-hepta(propan-2-yloxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877873
2,2,4-tris(3-methylphenoxy)-4,6,6,8,8-penta(propan-2-yloxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877846
2,2,4,4,6-pentakis(4-methylphenoxy)-6,8,8-tri(propan-2-yloxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-2,4,6,8-tetraene
CID 139877946
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
CID 14366454
2-(2,4-dimethylphenoxy)phenol
CID 91665530
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The IUPAC name of 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene (CID 66679687) is 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is Cc1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccc(C)cc3C)=NP(Oc3ccccc3)(Oc3ccc(C)cc3C)=N2)c(C)c1.
What is the InChIKey of 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
The InChIKey is YWIRPDLVQZNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N3O6P3/c1-31-22-25-40(34(4)28-31)49-52(46-37-16-10-7-11-17-37)43-53(47-38-18-12-8-13-19-38,50-41-26-23-32(2)29-35(41)5)45-54(44-52,48-39-20-14-9-15-21-39)51-42-27-24-33(3)30-36(42)6/h7-30H,1-6H3.
What are the key properties of 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene?
2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene has a molecular weight of 777.74 g/mol, XLogP of 14.16, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,4-dimethylphenoxy)-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 66679687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).