2,3,4,5-tetraphenyl-2H-phosphole

C28H21P — CID 18913943

IUPAC2,3,4,5-tetraphenyl-2H-phosphole
SMILESc1ccc(C2=PC(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C28H21P/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,27H
InChIKeyYMILOSPRFQSUPX-UHFFFAOYSA-N
MW388.45 g/mol
LogP7.52
Rot. Bonds4

About 2,3,4,5-tetraphenyl-2H-phosphole

2,3,4,5-tetraphenyl-2H-phosphole (PubChem CID 18913943) has the molecular formula C28H21P and a molecular weight of 388.45 g/mol. Its IUPAC name is 2,3,4,5-tetraphenyl-2H-phosphole.

Molecular Properties

Compound Name2,3,4,5-tetraphenyl-2H-phosphole
PubChem CID18913943
Molecular FormulaC28H21P
Molecular Weight388.45 g/mol
Exact Mass388.14
IUPAC Name2,3,4,5-tetraphenyl-2H-phosphole
SMILESc1ccc(C2=PC(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C28H21P/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,27H
InChIKeyYMILOSPRFQSUPX-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraphenyl-2H-phosphole?
The IUPAC name of 2,3,4,5-tetraphenyl-2H-phosphole (CID 18913943) is 2,3,4,5-tetraphenyl-2H-phosphole.
What is the SMILES notation for 2,3,4,5-tetraphenyl-2H-phosphole?
The canonical SMILES for 2,3,4,5-tetraphenyl-2H-phosphole is c1ccc(C2=PC(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 2,3,4,5-tetraphenyl-2H-phosphole?
The InChIKey is YMILOSPRFQSUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21P/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,27H.
What are the key properties of 2,3,4,5-tetraphenyl-2H-phosphole?
2,3,4,5-tetraphenyl-2H-phosphole has a molecular weight of 388.45 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraphenyl-2H-phosphole is sourced from PubChem (CID 18913943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).