1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane

C36H44P4 — CID 132567195

IUPAC1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane
SMILESc1ccc(P2CCCP(c3ccccc3)CCCP(c3ccccc3)CCCP(c3ccccc3)CCC2)cc1
InChIInChI=1S/C36H44P4/c1-5-17-33(18-6-1)37-25-13-27-38(34-19-7-2-8-20-34)29-15-31-40(36-23-11-4-12-24-36)32-16-30-39(28-14-26-37)35-21-9-3-10-22-35/h1-12,17-24H,13-16,25-32H2
InChIKeyJLWWFOIKTUUTMO-UHFFFAOYSA-N
MW600.64 g/mol
LogP8.79
Rot. Bonds4

About 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane

1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane (PubChem CID 132567195) has the molecular formula C36H44P4 and a molecular weight of 600.64 g/mol. Its IUPAC name is 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane.

Molecular Properties

Compound Name1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane
PubChem CID132567195
Molecular FormulaC36H44P4
Molecular Weight600.64 g/mol
Exact Mass600.24
IUPAC Name1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane
SMILESc1ccc(P2CCCP(c3ccccc3)CCCP(c3ccccc3)CCCP(c3ccccc3)CCC2)cc1
InChIInChI=1S/C36H44P4/c1-5-17-33(18-6-1)37-25-13-27-38(34-19-7-2-8-20-34)29-15-31-40(36-23-11-4-12-24-36)32-16-30-39(28-14-26-37)35-21-9-3-10-22-35/h1-12,17-24H,13-16,25-32H2
InChIKeyJLWWFOIKTUUTMO-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.64
LogP ≤ 58.79
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

1,5-diphenyl-1,5-diphosphocane
CID 14738745
3,7,11-triphenyl-3,7,11-triphosphabicyclo[11.3.1]heptadeca-1(17),13,15-triene
CID 101434382
1-methyl-4-phenyl-1,4-azaphosphinane
CID 71365636
1-phenylphosphinane-4-carboxylic acid
CID 143517103
CID 11732643
CID 11732643
3,4-dimethyl-1-phenylphospholane
CID 11732644
chloroplatinum(1+);(8E,23E)-1,16-diphenyl-1,16-diphosphacyclotriaconta-8,23-diene;1,2,3,4,5-pentafluorobenzene-6-ide
CID 11320642
1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane
CID 134976395
3-methyl-1-phenyl-1,4,7-triphosphecane
CID 16686339
1-ethyl-2-phenyldiphospholane
CID 156579193
1,2,3-triphenyltriphosphirane
CID 15826924
2,2,6,6-tetramethyl-4-phenyl-1,4-azaphosphinane
CID 91597144

Frequently Asked Questions

What is the IUPAC name of 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane?
The IUPAC name of 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane (CID 132567195) is 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane.
What is the SMILES notation for 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane?
The canonical SMILES for 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane is c1ccc(P2CCCP(c3ccccc3)CCCP(c3ccccc3)CCCP(c3ccccc3)CCC2)cc1.
What is the InChIKey of 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane?
The InChIKey is JLWWFOIKTUUTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44P4/c1-5-17-33(18-6-1)37-25-13-27-38(34-19-7-2-8-20-34)29-15-31-40(36-23-11-4-12-24-36)32-16-30-39(28-14-26-37)35-21-9-3-10-22-35/h1-12,17-24H,13-16,25-32H2.
What are the key properties of 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane?
1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane has a molecular weight of 600.64 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane is sourced from PubChem (CID 132567195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).