triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium

C44H45P3+2 — CID 89309582

IUPACtriphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium
SMILESc1ccc([P+](CC2CCC(CP[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H45P3/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)36-38-33-31-37(32-34-38)35-45-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-30,37-38,45H,31-36H2/q+2
InChIKeyMDPQHXFBSBPSHK-UHFFFAOYSA-N
MW666.77 g/mol
LogP9.37
Rot. Bonds11

About triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium

triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium (PubChem CID 89309582) has the molecular formula C44H45P3+2 and a molecular weight of 666.77 g/mol. Its IUPAC name is triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium
PubChem CID89309582
Molecular FormulaC44H45P3+2
Molecular Weight666.77 g/mol
Exact Mass666.27
IUPAC Nametriphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium
SMILESc1ccc([P+](CC2CCC(CP[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H45P3/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)36-38-33-31-37(32-34-38)35-45-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-30,37-38,45H,31-36H2/q+2
InChIKeyMDPQHXFBSBPSHK-UHFFFAOYSA-N
XLogP9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.77
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium?
The IUPAC name of triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium (CID 89309582) is triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium.
What is the SMILES notation for triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium?
The canonical SMILES for triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium is c1ccc([P+](CC2CCC(CP[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium?
The InChIKey is MDPQHXFBSBPSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45P3/c1-7-19-39(20-8-1)46(40-21-9-2-10-22-40,41-23-11-3-12-24-41)36-38-33-31-37(32-34-38)35-45-47(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-30,37-38,45H,31-36H2/q+2.
What are the key properties of triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium?
triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium has a molecular weight of 666.77 g/mol, XLogP of 9.37, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[4-(triphenylphosphaniumylmethyl)cyclohexyl]methylphosphanyl]phosphanium is sourced from PubChem (CID 89309582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).