1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene

C28H24P2 — CID 67826925

IUPAC1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene
SMILESC1=CP(c2ccccc2)(c2ccccc2)=CC=P1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24P2/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)21-23-30(24-22-29,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyJNRHZFYOMSUPGL-UHFFFAOYSA-N
MW422.45 g/mol
LogP5.41
Rot. Bonds4

About 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene

1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene (PubChem CID 67826925) has the molecular formula C28H24P2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene
PubChem CID67826925
Molecular FormulaC28H24P2
Molecular Weight422.45 g/mol
Exact Mass422.14
IUPAC Name1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene
SMILESC1=CP(c2ccccc2)(c2ccccc2)=CC=P1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24P2/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)21-23-30(24-22-29,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyJNRHZFYOMSUPGL-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-oxo-1-phenyl-1λ5-phosphinin-4-one
CID 122432827
5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole
CID 134996545
10-phenyl-5H-phenophosphazinine 10-oxide
CID 12550143
CID 11107165
CID 11107165
1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene
CID 177449424
1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene
CID 23416550
CID 139251088
CID 139251088
Diphenylsilicon
CID 6327659
benzene;2-phenylethylbenzene
CID 18982764
triphenyl-(1,1,3,3-tetraphenyl-4-triphenylphosphaniumyl-1λ5,3λ5-diphosphacyclobuta-1,3-dien-2-yl)phosphanium
CID 23280121
2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide
CID 58399828
2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 23417929

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene?
The IUPAC name of 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene (CID 67826925) is 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene.
What is the SMILES notation for 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene?
The canonical SMILES for 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene is C1=CP(c2ccccc2)(c2ccccc2)=CC=P1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene?
The InChIKey is JNRHZFYOMSUPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24P2/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)21-23-30(24-22-29,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene?
1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene has a molecular weight of 422.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene is sourced from PubChem (CID 67826925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).