2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane

C63H70P8 — CID 87474871

IUPAC2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane
SMILESc1ccc(-c2ccc(P3CCCCCCCCCCCCCCCPP(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P3c3ccccc3)cc2)cc1
InChIInChI=1S/C63H70P8/c1-2-4-6-8-10-33-53-64-66(58-37-21-13-22-38-58)68(60-41-25-15-26-42-60)70(62-45-29-17-30-46-62)71(63-47-31-18-32-48-63)69(61-43-27-16-28-44-61)67(59-39-23-14-24-40-59)65(54-34-11-9-7-5-3-1)57-51-49-56(50-52-57)55-35-19-12-20-36-55/h12-32,35-52,64H,1-11,33-34,53-54H2
InChIKeyXSRSWSKWMDKRAP-UHFFFAOYSA-N
MW1075.05 g/mol
LogP19.47
Rot. Bonds8

About 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane

2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane (PubChem CID 87474871) has the molecular formula C63H70P8 and a molecular weight of 1075.05 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane.

Molecular Properties

Compound Name2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane
PubChem CID87474871
Molecular FormulaC63H70P8
Molecular Weight1075.05 g/mol
Exact Mass1074.34
IUPAC Name2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane
SMILESc1ccc(-c2ccc(P3CCCCCCCCCCCCCCCPP(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P3c3ccccc3)cc2)cc1
InChIInChI=1S/C63H70P8/c1-2-4-6-8-10-33-53-64-66(58-37-21-13-22-38-58)68(60-41-25-15-26-42-60)70(62-45-29-17-30-46-62)71(63-47-31-18-32-48-63)69(61-43-27-16-28-44-61)67(59-39-23-14-24-40-59)65(54-34-11-9-7-5-3-1)57-51-49-56(50-52-57)55-35-19-12-20-36-55/h12-32,35-52,64H,1-11,33-34,53-54H2
InChIKeyXSRSWSKWMDKRAP-UHFFFAOYSA-N
XLogP19.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.05
LogP ≤ 519.47
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 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane?
The IUPAC name of 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane (CID 87474871) is 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane.
What is the SMILES notation for 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane?
The canonical SMILES for 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane is c1ccc(-c2ccc(P3CCCCCCCCCCCCCCCPP(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P(c4ccccc4)P3c3ccccc3)cc2)cc1.
What is the InChIKey of 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane?
The InChIKey is XSRSWSKWMDKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H70P8/c1-2-4-6-8-10-33-53-64-66(58-37-21-13-22-38-58)68(60-41-25-15-26-42-60)70(62-45-29-17-30-46-62)71(63-47-31-18-32-48-63)69(61-43-27-16-28-44-61)67(59-39-23-14-24-40-59)65(54-34-11-9-7-5-3-1)57-51-49-56(50-52-57)55-35-19-12-20-36-55/h12-32,35-52,64H,1-11,33-34,53-54H2.
What are the key properties of 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane?
2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane has a molecular weight of 1075.05 g/mol, XLogP of 19.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexakis-phenyl-1-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octaphosphacyclotricosane is sourced from PubChem (CID 87474871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).