triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium

C48H40P2+2 — CID 11051135

IUPACtriphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
SMILESc1ccc([P+](Cc2ccc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40P2/c1-7-19-43(20-8-1)49(44-21-9-2-10-22-44,45-23-11-3-12-24-45)37-39-31-33-41-34-32-40(36-42(41)35-39)38-50(46-25-13-4-14-26-46,47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-36H,37-38H2/q+2
InChIKeyJKGOEQRLHVUHNX-UHFFFAOYSA-N
MW678.80 g/mol
LogP9.83
Rot. Bonds10

About triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium

triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium (PubChem CID 11051135) has the molecular formula C48H40P2+2 and a molecular weight of 678.80 g/mol. Its IUPAC name is triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
PubChem CID11051135
Molecular FormulaC48H40P2+2
Molecular Weight678.80 g/mol
Exact Mass678.26
IUPAC Nametriphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
SMILESc1ccc([P+](Cc2ccc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H40P2/c1-7-19-43(20-8-1)49(44-21-9-2-10-22-44,45-23-11-3-12-24-45)37-39-31-33-41-34-32-40(36-42(41)35-39)38-50(46-25-13-4-14-26-46,47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-36H,37-38H2/q+2
InChIKeyJKGOEQRLHVUHNX-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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Related Compounds

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CID 88650870
(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
CID 10790485
[2-chloro-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium
CID 102469105
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
(7,8-dimethoxyphenanthren-2-yl)methyl-triphenylphosphanium bromide
CID 10674977
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
CID 19744545
(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
CID 91016846
[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl-triphenylphosphanium
CID 172686491
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium?
The IUPAC name of triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium (CID 11051135) is triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium?
The canonical SMILES for triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium is c1ccc([P+](Cc2ccc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium?
The InChIKey is JKGOEQRLHVUHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40P2/c1-7-19-43(20-8-1)49(44-21-9-2-10-22-44,45-23-11-3-12-24-45)37-39-31-33-41-34-32-40(36-42(41)35-39)38-50(46-25-13-4-14-26-46,47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-36H,37-38H2/q+2.
What are the key properties of triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium?
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-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-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium is sourced from PubChem (CID 11051135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).