1,2,3,4,5-pentakis-phenylpentaphospholane

C30H25P5 — CID 621704

IUPAC1,2,3,4,5-pentakis-phenylpentaphospholane
SMILESc1ccc(-p2p(-c3ccccc3)p(-c3ccccc3)p(-c3ccccc3)p2-c2ccccc2)cc1
InChIInChI=1S/C30H25P5/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H
InChIKeyZWRMRAPCUFXCEQ-UHFFFAOYSA-N
MW540.40 g/mol
LogP12.69
Rot. Bonds5

About 1,2,3,4,5-pentakis-phenylpentaphospholane

1,2,3,4,5-pentakis-phenylpentaphospholane (PubChem CID 621704) has the molecular formula C30H25P5 and a molecular weight of 540.40 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis-phenylpentaphospholane.

Molecular Properties

Compound Name1,2,3,4,5-pentakis-phenylpentaphospholane
PubChem CID621704
Molecular FormulaC30H25P5
Molecular Weight540.40 g/mol
Exact Mass540.06
IUPAC Name1,2,3,4,5-pentakis-phenylpentaphospholane
SMILESc1ccc(-p2p(-c3ccccc3)p(-c3ccccc3)p(-c3ccccc3)p2-c2ccccc2)cc1
InChIInChI=1S/C30H25P5/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25H
InChIKeyZWRMRAPCUFXCEQ-UHFFFAOYSA-N
XLogP12.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.40
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis-phenylpentaphospholane?
The IUPAC name of 1,2,3,4,5-pentakis-phenylpentaphospholane (CID 621704) is 1,2,3,4,5-pentakis-phenylpentaphospholane.
What is the SMILES notation for 1,2,3,4,5-pentakis-phenylpentaphospholane?
The canonical SMILES for 1,2,3,4,5-pentakis-phenylpentaphospholane is c1ccc(-p2p(-c3ccccc3)p(-c3ccccc3)p(-c3ccccc3)p2-c2ccccc2)cc1.
What is the InChIKey of 1,2,3,4,5-pentakis-phenylpentaphospholane?
The InChIKey is ZWRMRAPCUFXCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25P5/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)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 1,2,3,4,5-pentakis-phenylpentaphospholane?
1,2,3,4,5-pentakis-phenylpentaphospholane has a molecular weight of 540.40 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentakis-phenylpentaphospholane is sourced from PubChem (CID 621704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).