1-benzyl-2,3,4,5-tetraphenylphosphole

C35H27P — CID 134907229

IUPAC1-benzyl-2,3,4,5-tetraphenylphosphole
SMILESc1ccc(Cp2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H27P/c1-6-16-27(17-7-1)26-36-34(30-22-12-4-13-23-30)32(28-18-8-2-9-19-28)33(29-20-10-3-11-21-29)35(36)31-24-14-5-15-25-31/h1-25H,26H2
InChIKeyWCXYRARHHQEYQK-UHFFFAOYSA-N
MW478.58 g/mol
LogP10.39
Rot. Bonds6

About 1-benzyl-2,3,4,5-tetraphenylphosphole

1-benzyl-2,3,4,5-tetraphenylphosphole (PubChem CID 134907229) has the molecular formula C35H27P and a molecular weight of 478.58 g/mol. Its IUPAC name is 1-benzyl-2,3,4,5-tetraphenylphosphole.

Molecular Properties

Compound Name1-benzyl-2,3,4,5-tetraphenylphosphole
PubChem CID134907229
Molecular FormulaC35H27P
Molecular Weight478.58 g/mol
Exact Mass478.19
IUPAC Name1-benzyl-2,3,4,5-tetraphenylphosphole
SMILESc1ccc(Cp2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H27P/c1-6-16-27(17-7-1)26-36-34(30-22-12-4-13-23-30)32(28-18-8-2-9-19-28)33(29-20-10-3-11-21-29)35(36)31-24-14-5-15-25-31/h1-25H,26H2
InChIKeyWCXYRARHHQEYQK-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3,4,5-tetraphenylphosphole?
The IUPAC name of 1-benzyl-2,3,4,5-tetraphenylphosphole (CID 134907229) is 1-benzyl-2,3,4,5-tetraphenylphosphole.
What is the SMILES notation for 1-benzyl-2,3,4,5-tetraphenylphosphole?
The canonical SMILES for 1-benzyl-2,3,4,5-tetraphenylphosphole is c1ccc(Cp2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2,3,4,5-tetraphenylphosphole?
The InChIKey is WCXYRARHHQEYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27P/c1-6-16-27(17-7-1)26-36-34(30-22-12-4-13-23-30)32(28-18-8-2-9-19-28)33(29-20-10-3-11-21-29)35(36)31-24-14-5-15-25-31/h1-25H,26H2.
What are the key properties of 1-benzyl-2,3,4,5-tetraphenylphosphole?
1-benzyl-2,3,4,5-tetraphenylphosphole has a molecular weight of 478.58 g/mol, XLogP of 10.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3,4,5-tetraphenylphosphole is sourced from PubChem (CID 134907229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).