2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane

C31H34P4 — CID 87476644

IUPAC2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane
SMILESc1ccc(-c2ccc(P3CCCCCCCPP(c4ccccc4)P3c3ccccc3)cc2)cc1
InChIInChI=1S/C31H34P4/c1-2-13-25-32-34(30-17-9-5-10-18-30)35(31-19-11-6-12-20-31)33(26-14-3-1)29-23-21-28(22-24-29)27-15-7-4-8-16-27/h4-12,15-24,32H,1-3,13-14,25-26H2
InChIKeyLMVHTJKRPUGGDJ-UHFFFAOYSA-N
MW530.51 g/mol
LogP9.46
Rot. Bonds4

About 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane

2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane (PubChem CID 87476644) has the molecular formula C31H34P4 and a molecular weight of 530.51 g/mol. Its IUPAC name is 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane.

Molecular Properties

Compound Name2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane
PubChem CID87476644
Molecular FormulaC31H34P4
Molecular Weight530.51 g/mol
Exact Mass530.16
IUPAC Name2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane
SMILESc1ccc(-c2ccc(P3CCCCCCCPP(c4ccccc4)P3c3ccccc3)cc2)cc1
InChIInChI=1S/C31H34P4/c1-2-13-25-32-34(30-17-9-5-10-18-30)35(31-19-11-6-12-20-31)33(26-14-3-1)29-23-21-28(22-24-29)27-15-7-4-8-16-27/h4-12,15-24,32H,1-3,13-14,25-26H2
InChIKeyLMVHTJKRPUGGDJ-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.51
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane?
The IUPAC name of 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane (CID 87476644) is 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane.
What is the SMILES notation for 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane?
The canonical SMILES for 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane is c1ccc(-c2ccc(P3CCCCCCCPP(c4ccccc4)P3c3ccccc3)cc2)cc1.
What is the InChIKey of 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane?
The InChIKey is LMVHTJKRPUGGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34P4/c1-2-13-25-32-34(30-17-9-5-10-18-30)35(31-19-11-6-12-20-31)33(26-14-3-1)29-23-21-28(22-24-29)27-15-7-4-8-16-27/h4-12,15-24,32H,1-3,13-14,25-26H2.
What are the key properties of 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane?
2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane has a molecular weight of 530.51 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-(4-phenylphenyl)-1,2,3,4-tetraphosphacycloundecane is sourced from PubChem (CID 87476644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).