triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium

C42H38P2+2 — CID 11083310

IUPACtriphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium
SMILESC1=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H38P2/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36,37-23-11-3-12-24-37)41-31-33-42(34-32-41)44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-31,33,41-42H,32,34H2/q+2
InChIKeyXWDJPILDLJOKCA-UHFFFAOYSA-N
MW604.71 g/mol
LogP8.06
Rot. Bonds8

About triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium

triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium (PubChem CID 11083310) has the molecular formula C42H38P2+2 and a molecular weight of 604.71 g/mol. Its IUPAC name is triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium.

Molecular Properties

Compound Nametriphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium
PubChem CID11083310
Molecular FormulaC42H38P2+2
Molecular Weight604.71 g/mol
Exact Mass604.24
IUPAC Nametriphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium
SMILESC1=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H38P2/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36,37-23-11-3-12-24-37)41-31-33-42(34-32-41)44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-31,33,41-42H,32,34H2/q+2
InChIKeyXWDJPILDLJOKCA-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium?
The IUPAC name of triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium (CID 11083310) is triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium.
What is the SMILES notation for triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium?
The canonical SMILES for triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium is C1=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium?
The InChIKey is XWDJPILDLJOKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38P2/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36,37-23-11-3-12-24-37)41-31-33-42(34-32-41)44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-31,33,41-42H,32,34H2/q+2.
What are the key properties of triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium?
triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium has a molecular weight of 604.71 g/mol, XLogP of 8.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium is sourced from PubChem (CID 11083310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).