triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium

C48H40P2+2 — CID 3681273

IUPACtriphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium
SMILESc1ccc([P+](Cc2cccc3cccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)c23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40P2/c1-7-25-42(26-8-1)49(43-27-9-2-10-28-43,44-29-11-3-12-30-44)37-40-23-19-21-39-22-20-24-41(48(39)40)38-50(45-31-13-4-14-32-45,46-33-15-5-16-34-46)47-35-17-6-18-36-47/h1-36H,37-38H2/q+2
InChIKeyJQYZDHHGYWENLY-UHFFFAOYSA-N
MW678.80 g/mol
LogP9.83
Rot. Bonds10

About triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium

triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium (PubChem CID 3681273) has the molecular formula C48H40P2+2 and a molecular weight of 678.80 g/mol. Its IUPAC name is triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium
PubChem CID3681273
Molecular FormulaC48H40P2+2
Molecular Weight678.80 g/mol
Exact Mass678.26
IUPAC Nametriphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium
SMILESc1ccc([P+](Cc2cccc3cccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)c23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40P2/c1-7-25-42(26-8-1)49(43-27-9-2-10-28-43,44-29-11-3-12-30-44)37-40-23-19-21-39-22-20-24-41(48(39)40)38-50(45-31-13-4-14-32-45,46-33-15-5-16-34-46)47-35-17-6-18-36-47/h1-36H,37-38H2/q+2
InChIKeyJQYZDHHGYWENLY-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 59.83
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-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium?
The IUPAC name of triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium (CID 3681273) is triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium?
The canonical SMILES for triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium is c1ccc([P+](Cc2cccc3cccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)c23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium?
The InChIKey is JQYZDHHGYWENLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40P2/c1-7-25-42(26-8-1)49(43-27-9-2-10-28-43,44-29-11-3-12-30-44)37-40-23-19-21-39-22-20-24-41(48(39)40)38-50(45-31-13-4-14-32-45,46-33-15-5-16-34-46)47-35-17-6-18-36-47/h1-36H,37-38H2/q+2.
What are the key properties of triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium?
triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium has a molecular weight of 678.80 g/mol, XLogP of 9.83, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium is sourced from PubChem (CID 3681273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).