2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane

C26H31P3 — CID 87473761

IUPAC2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane
SMILESc1ccc(-c2ccc(P3CCCCCCCCPP3c3ccccc3)cc2)cc1
InChIInChI=1S/C26H31P3/c1-2-4-12-22-28(29(27-21-11-3-1)26-15-9-6-10-16-26)25-19-17-24(18-20-25)23-13-7-5-8-14-23/h5-10,13-20,27H,1-4,11-12,21-22H2
InChIKeyZNPHAFCFTHURDO-UHFFFAOYSA-N
MW436.46 g/mol
LogP8.13
Rot. Bonds3

About 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane

2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane (PubChem CID 87473761) has the molecular formula C26H31P3 and a molecular weight of 436.46 g/mol. Its IUPAC name is 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane.

Molecular Properties

Compound Name2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane
PubChem CID87473761
Molecular FormulaC26H31P3
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane
SMILESc1ccc(-c2ccc(P3CCCCCCCCPP3c3ccccc3)cc2)cc1
InChIInChI=1S/C26H31P3/c1-2-4-12-22-28(29(27-21-11-3-1)26-15-9-6-10-16-26)25-19-17-24(18-20-25)23-13-7-5-8-14-23/h5-10,13-20,27H,1-4,11-12,21-22H2
InChIKeyZNPHAFCFTHURDO-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 58.13
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

2-phenyl-1-(4-phenylphenyl)triphosphepane
CID 87473392
2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane
CID 87476644
2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane
CID 87474871
1,1'-biphenyl;cycloheptane
CID 174877368
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
1,4-diphenylbenzene;1-methylpiperidine
CID 175507613
benzene;tris(1,1'-biphenyl)
CID 162155747
1-ethyl-2-phenyldiphospholane
CID 156579193
1,1'-biphenyl;3H-diazaphosphirene
CID 146196746
1-(4-phenylphenyl)cycloheptene
CID 58982123
1,5-diphenyl-1,5-diphosphocane
CID 14738745

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane?
The IUPAC name of 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane (CID 87473761) is 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane.
What is the SMILES notation for 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane?
The canonical SMILES for 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane is c1ccc(-c2ccc(P3CCCCCCCCPP3c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane?
The InChIKey is ZNPHAFCFTHURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31P3/c1-2-4-12-22-28(29(27-21-11-3-1)26-15-9-6-10-16-26)25-19-17-24(18-20-25)23-13-7-5-8-14-23/h5-10,13-20,27H,1-4,11-12,21-22H2.
What are the key properties of 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane?
2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane has a molecular weight of 436.46 g/mol, XLogP of 8.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-phenylphenyl)-1,2,3-triphosphacycloundecane is sourced from PubChem (CID 87473761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).