2,3,4,5,6-pentakis-phenylphosphinine

C35H25P — CID 12931023

IUPAC2,3,4,5,6-pentakis-phenylphosphinine
SMILESc1ccc(-c2pc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H25P/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)36-35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H
InChIKeyQDCBISZSSFKOHB-UHFFFAOYSA-N
MW476.56 g/mol
LogP10.60
Rot. Bonds5

About 2,3,4,5,6-pentakis-phenylphosphinine

2,3,4,5,6-pentakis-phenylphosphinine (PubChem CID 12931023) has the molecular formula C35H25P and a molecular weight of 476.56 g/mol. Its IUPAC name is 2,3,4,5,6-pentakis-phenylphosphinine.

Molecular Properties

Compound Name2,3,4,5,6-pentakis-phenylphosphinine
PubChem CID12931023
Molecular FormulaC35H25P
Molecular Weight476.56 g/mol
Exact Mass476.17
IUPAC Name2,3,4,5,6-pentakis-phenylphosphinine
SMILESc1ccc(-c2pc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H25P/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)36-35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H
InChIKeyQDCBISZSSFKOHB-UHFFFAOYSA-N
XLogP10.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentakis-phenylphosphinine?
The IUPAC name of 2,3,4,5,6-pentakis-phenylphosphinine (CID 12931023) is 2,3,4,5,6-pentakis-phenylphosphinine.
What is the SMILES notation for 2,3,4,5,6-pentakis-phenylphosphinine?
The canonical SMILES for 2,3,4,5,6-pentakis-phenylphosphinine is c1ccc(-c2pc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,3,4,5,6-pentakis-phenylphosphinine?
The InChIKey is QDCBISZSSFKOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25P/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)36-35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H.
What are the key properties of 2,3,4,5,6-pentakis-phenylphosphinine?
2,3,4,5,6-pentakis-phenylphosphinine has a molecular weight of 476.56 g/mol, XLogP of 10.60, 5 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-pentakis-phenylphosphinine is sourced from PubChem (CID 12931023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).