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

C42H38Br2P2 — CID 11147088

IUPACtriphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide
SMILESC1=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
InChIInChI=1S/C42H38P2.2BrH/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;2*1H/q+2;;/p-2
InChIKeySDPKPHFIWYJCFZ-UHFFFAOYSA-L
MW764.52 g/mol
LogP2.07
Rot. Bonds8

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

triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide (PubChem CID 11147088) has the molecular formula C42H38Br2P2 and a molecular weight of 764.52 g/mol. Its IUPAC name is triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide.

Molecular Properties

Compound Nametriphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide
PubChem CID11147088
Molecular FormulaC42H38Br2P2
Molecular Weight764.52 g/mol
Exact Mass762.08
IUPAC Nametriphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide
SMILESC1=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
InChIInChI=1S/C42H38P2.2BrH/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;2*1H/q+2;;/p-2
InChIKeySDPKPHFIWYJCFZ-UHFFFAOYSA-L
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.52
LogP ≤ 52.07
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 dibromide?
The IUPAC name of triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide (CID 11147088) is triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide.
What is the SMILES notation for triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide?
The canonical SMILES for triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide is C1=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-].
What is the InChIKey of triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide?
The InChIKey is SDPKPHFIWYJCFZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H38P2.2BrH/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;2*1H/q+2;;/p-2.
What are the key properties of triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide?
triphenyl-(4-triphenylphosphaniumylcyclohex-2-en-1-yl)phosphanium dibromide has a molecular weight of 764.52 g/mol, XLogP of 2.07, 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 dibromide is sourced from PubChem (CID 11147088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).