5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane

C33H27Cl2OP — CID 101135190

IUPAC5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane
SMILESClc1ccc(C2(c3ccc(Cl)cc3)CCP(c3ccccc3)(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C33H27Cl2OP/c34-28-20-16-26(17-21-28)33(27-18-22-29(35)23-19-27)24-25-37(36-33,30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-23H,24-25H2
InChIKeyVTXWODQUOIXIMZ-UHFFFAOYSA-N
MW541.46 g/mol
LogP8.10
Rot. Bonds5

About 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane

5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane (PubChem CID 101135190) has the molecular formula C33H27Cl2OP and a molecular weight of 541.46 g/mol. Its IUPAC name is 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane.

Molecular Properties

Compound Name5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane
PubChem CID101135190
Molecular FormulaC33H27Cl2OP
Molecular Weight541.46 g/mol
Exact Mass540.12
IUPAC Name5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane
SMILESClc1ccc(C2(c3ccc(Cl)cc3)CCP(c3ccccc3)(c3ccccc3)(c3ccccc3)O2)cc1
InChIInChI=1S/C33H27Cl2OP/c34-28-20-16-26(17-21-28)33(27-18-22-29(35)23-19-27)24-25-37(36-33,30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-23H,24-25H2
InChIKeyVTXWODQUOIXIMZ-UHFFFAOYSA-N
XLogP8.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.46
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane?
The IUPAC name of 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane (CID 101135190) is 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane.
What is the SMILES notation for 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane?
The canonical SMILES for 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane is Clc1ccc(C2(c3ccc(Cl)cc3)CCP(c3ccccc3)(c3ccccc3)(c3ccccc3)O2)cc1.
What is the InChIKey of 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane?
The InChIKey is VTXWODQUOIXIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27Cl2OP/c34-28-20-16-26(17-21-28)33(27-18-22-29(35)23-19-27)24-25-37(36-33,30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32/h1-23H,24-25H2.
What are the key properties of 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane?
5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane has a molecular weight of 541.46 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-chlorophenyl)-2,2,2-triphenyl-1,2λ5-oxaphospholane is sourced from PubChem (CID 101135190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).