triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane

C41H38P2 — CID 12864161

IUPACtriphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane
SMILESC(CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H38P2/c1-8-22-36(23-9-1)42(37-24-10-2-11-25-37,38-26-12-3-13-27-38)34-20-7-21-35-43(39-28-14-4-15-29-39,40-30-16-5-17-31-40)41-32-18-6-19-33-41/h1-6,8-19,22-35H,7,20-21H2
InChIKeyLDBKQSZGZFHSHK-UHFFFAOYSA-N
MW592.70 g/mol
LogP7.75
Rot. Bonds10

About triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane

triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane (PubChem CID 12864161) has the molecular formula C41H38P2 and a molecular weight of 592.70 g/mol. Its IUPAC name is triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane.

Molecular Properties

Compound Nametriphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane
PubChem CID12864161
Molecular FormulaC41H38P2
Molecular Weight592.70 g/mol
Exact Mass592.24
IUPAC Nametriphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane
SMILESC(CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H38P2/c1-8-22-36(23-9-1)42(37-24-10-2-11-25-37,38-26-12-3-13-27-38)34-20-7-21-35-43(39-28-14-4-15-29-39,40-30-16-5-17-31-40)41-32-18-6-19-33-41/h1-6,8-19,22-35H,7,20-21H2
InChIKeyLDBKQSZGZFHSHK-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium 4-(triphenyl-λ5-phosphanylidene)butan-1-olate
CID 23673071
potassium 5-(triphenyl-λ5-phosphanylidene)pentanoate
CID 23669925
non-3-enylidene(triphenyl)-λ5-phosphane
CID 57280136
1,1-diphenyl-3-(triphenyl-λ5-phosphanylidene)propan-1-olate
CID 101201870
dimethylphosphanylmethylidene(triphenyl)-λ5-phosphane
CID 23416555
diethyl (2E,7E)-nona-2,7-dienedioate;ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;pentanedial
CID 159094990
triphenyl(phenylmethoxymethylidene)-λ5-phosphane
CID 14869671
triphenyl-[2-[4-(trifluoromethoxy)phenyl]ethylidene]-λ5-phosphane
CID 174781016
5-hydroxy-1-(triphenyl-lambda5-phosphanylidene)pentan-2-one
CID 12923548
phenoxymethylidene(triphenyl)-λ5-phosphane
CID 21329537
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
(triphenyl-λ5-phosphanylidene)methylphosphonic acid
CID 21266815

Frequently Asked Questions

What is the IUPAC name of triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane?
The IUPAC name of triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane (CID 12864161) is triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane.
What is the SMILES notation for triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane?
The canonical SMILES for triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane is C(CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane?
The InChIKey is LDBKQSZGZFHSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38P2/c1-8-22-36(23-9-1)42(37-24-10-2-11-25-37,38-26-12-3-13-27-38)34-20-7-21-35-43(39-28-14-4-15-29-39,40-30-16-5-17-31-40)41-32-18-6-19-33-41/h1-6,8-19,22-35H,7,20-21H2.
What are the key properties of triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane?
triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane has a molecular weight of 592.70 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[5-(triphenyl-lambda5-phosphanylidene)pentylidene]-lambda5-phosphane is sourced from PubChem (CID 12864161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).