cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium

C51H54OP2+2 — CID 57342175

IUPACcyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium
SMILESO=C(c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C51H54OP2/c52-51(43-35-31-41(32-36-43)39-53(45-19-7-1-8-20-45,46-21-9-2-10-22-46)47-23-11-3-12-24-47)44-37-33-42(34-38-44)40-54(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-2,4-5,7-10,13-16,19-22,25-28,31-38,47,50H,3,6,11-12,17-18,23-24,29-30,39-40H2/q+2
InChIKeyCPLDZHGBQOHWLO-UHFFFAOYSA-N
MW744.94 g/mol
LogP11.92
Rot. Bonds12

About cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium

cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium (PubChem CID 57342175) has the molecular formula C51H54OP2+2 and a molecular weight of 744.94 g/mol. Its IUPAC name is cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium.

Molecular Properties

Compound Namecyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium
PubChem CID57342175
Molecular FormulaC51H54OP2+2
Molecular Weight744.94 g/mol
Exact Mass744.36
IUPAC Namecyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium
SMILESO=C(c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C51H54OP2/c52-51(43-35-31-41(32-36-43)39-53(45-19-7-1-8-20-45,46-21-9-2-10-22-46)47-23-11-3-12-24-47)44-37-33-42(34-38-44)40-54(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-2,4-5,7-10,13-16,19-22,25-28,31-38,47,50H,3,6,11-12,17-18,23-24,29-30,39-40H2/q+2
InChIKeyCPLDZHGBQOHWLO-UHFFFAOYSA-N
XLogP11.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 511.92
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 cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium?
The IUPAC name of cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium (CID 57342175) is cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium.
What is the SMILES notation for cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium?
The canonical SMILES for cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium is O=C(c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium?
The InChIKey is CPLDZHGBQOHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H54OP2/c52-51(43-35-31-41(32-36-43)39-53(45-19-7-1-8-20-45,46-21-9-2-10-22-46)47-23-11-3-12-24-47)44-37-33-42(34-38-44)40-54(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-2,4-5,7-10,13-16,19-22,25-28,31-38,47,50H,3,6,11-12,17-18,23-24,29-30,39-40H2/q+2.
What are the key properties of cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium?
cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium has a molecular weight of 744.94 g/mol, XLogP of 11.92, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[[4-[4-[[cyclohexyl(diphenyl)phosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium is sourced from PubChem (CID 57342175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).