1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene

C56H52P4 — CID 177449424

IUPAC1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene
SMILESC1=P(c2ccccc2)(c2ccccc2)CCCP(c2ccccc2)(c2ccccc2)=C=P(c2ccccc2)(c2ccccc2)CCCP=1(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H52P4/c1-9-27-49(28-10-1)57(50-29-11-2-12-30-50)43-25-44-59(53-35-17-5-18-36-53,54-37-19-6-20-38-54)48-60(55-39-21-7-22-40-55,56-41-23-8-24-42-56)46-26-45-58(47-57,51-31-13-3-14-32-51)52-33-15-4-16-34-52/h1-24,27-42H,25-26,43-46H2
InChIKeyYREHLWGBXPTPSX-UHFFFAOYSA-N
MW848.93 g/mol
LogP10.73
Rot. Bonds8

About 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene

1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene (PubChem CID 177449424) has the molecular formula C56H52P4 and a molecular weight of 848.93 g/mol. Its IUPAC name is 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene.

Molecular Properties

Compound Name1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene
PubChem CID177449424
Molecular FormulaC56H52P4
Molecular Weight848.93 g/mol
Exact Mass848.30
IUPAC Name1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene
SMILESC1=P(c2ccccc2)(c2ccccc2)CCCP(c2ccccc2)(c2ccccc2)=C=P(c2ccccc2)(c2ccccc2)CCCP=1(c1ccccc1)c1ccccc1
InChIInChI=1S/C56H52P4/c1-9-27-49(28-10-1)57(50-29-11-2-12-30-50)43-25-44-59(53-35-17-5-18-36-53,54-37-19-6-20-38-54)48-60(55-39-21-7-22-40-55,56-41-23-8-24-42-56)46-26-45-58(47-57,51-31-13-3-14-32-51)52-33-15-4-16-34-52/h1-24,27-42H,25-26,43-46H2
InChIKeyYREHLWGBXPTPSX-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.93
LogP ≤ 510.73
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

1,1,3,3-tetraphenyl-1λ5,3λ5-diphosphacyclohepta-1,2-diene
CID 23416550
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
CID 4134640
(2S,3R)-2-bromo-1-oxo-1-phenyl-1λ5-phospholan-3-ol
CID 102301474
1,1'-biphenyl;cycloheptane
CID 174877368
2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
1,1,4,4-tetraphenyl-1λ5,4λ5-diphosphacyclohexa-1,3,5-triene
CID 67826925
1-oxo-1-phenyl-1λ5-phospholane-2,3-dione
CID 66641409
1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole
CID 102113163
(2R)-1-phenyl-2-(2-phenylethyl)-1-sulfanylidene-1λ5-phospholan-2-ol
CID 69207984
2,2,7-triphenyl-1-aza-2λ5-phosphacyclohepta-1,6-diene
CID 100981586
(1R)-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 139092919

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene?
The IUPAC name of 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene (CID 177449424) is 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene.
What is the SMILES notation for 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene?
The canonical SMILES for 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene is C1=P(c2ccccc2)(c2ccccc2)CCCP(c2ccccc2)(c2ccccc2)=C=P(c2ccccc2)(c2ccccc2)CCCP=1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene?
The InChIKey is YREHLWGBXPTPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52P4/c1-9-27-49(28-10-1)57(50-29-11-2-12-30-50)43-25-44-59(53-35-17-5-18-36-53,54-37-19-6-20-38-54)48-60(55-39-21-7-22-40-55,56-41-23-8-24-42-56)46-26-45-58(47-57,51-31-13-3-14-32-51)52-33-15-4-16-34-52/h1-24,27-42H,25-26,43-46H2.
What are the key properties of 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene?
1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene has a molecular weight of 848.93 g/mol, XLogP of 10.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,7,7,9,9-octakis-phenyl-1λ5,3λ5,7λ5,9λ5-tetraphosphacyclododeca-1,2,7,8-tetraene is sourced from PubChem (CID 177449424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).