[cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane

C56H94P2 — CID 91159914

IUPAC[cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane
SMILESC1=CC(C2CCCCC2)=C(P(C2=C(C3CCCC3)C=CC2)(C2CCCCCCCCCC2)(C2CCCCCC2)P(C2CCCCCCCCC2)C2CCCCCC2)C1
InChIInChI=1S/C56H94P2/c1-2-7-11-24-40-51(39-23-10-6-1)58(52-41-25-14-15-26-42-52,56-46-30-44-54(56)48-33-27-28-34-48,55-45-29-43-53(55)47-31-17-16-18-32-47)57(50-37-21-12-13-22-38-50)49-35-19-8-4-3-5-9-20-36-49/h29-30,43-44,47-52H,1-28,31-42,45-46H2
InChIKeyGGQJHARSVQQLSH-UHFFFAOYSA-N
MW829.32 g/mol
LogP19.76
Rot. Bonds9

About [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane

[cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane (PubChem CID 91159914) has the molecular formula C56H94P2 and a molecular weight of 829.32 g/mol. Its IUPAC name is [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane.

Molecular Properties

Compound Name[cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane
PubChem CID91159914
Molecular FormulaC56H94P2
Molecular Weight829.32 g/mol
Exact Mass828.68
IUPAC Name[cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane
SMILESC1=CC(C2CCCCC2)=C(P(C2=C(C3CCCC3)C=CC2)(C2CCCCCCCCCC2)(C2CCCCCC2)P(C2CCCCCCCCC2)C2CCCCCC2)C1
InChIInChI=1S/C56H94P2/c1-2-7-11-24-40-51(39-23-10-6-1)58(52-41-25-14-15-26-42-52,56-46-30-44-54(56)48-33-27-28-34-48,55-45-29-43-53(55)47-31-17-16-18-32-47)57(50-37-21-12-13-22-38-50)49-35-19-8-4-3-5-9-20-36-49/h29-30,43-44,47-52H,1-28,31-42,45-46H2
InChIKeyGGQJHARSVQQLSH-UHFFFAOYSA-N
XLogP19.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.32
LogP ≤ 519.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane with MolForge

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Related Compounds

(2-cyclohexylcyclopenta-1,3-dien-1-yl)phosphane
CID 159739826
(2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane
CID 87669134
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
5-cyclopentyl-1-phenyl-2H-pyridine
CID 129212105
dicyclohexyl-[2-(diphenylphosphanylmethyl)cyclopenta-1,3-dien-1-yl]phosphane
CID 102163658
cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);dichloride
CID 174424788
cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydrochloride
CID 174711414
cyclopenta-1,4-dien-1-ylcyclohexane;titanium(3+);difluoride
CID 174711330
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
4-cycloundecyl-2H-azadiphosphole
CID 91317252
cyclopenta-1,4-dien-1-ylcyclohexane;hafnium;dihydroiodide
CID 174700888
4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
CID 57091499

Frequently Asked Questions

What is the IUPAC name of [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane?
The IUPAC name of [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane (CID 91159914) is [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane.
What is the SMILES notation for [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane?
The canonical SMILES for [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane is C1=CC(C2CCCCC2)=C(P(C2=C(C3CCCC3)C=CC2)(C2CCCCCCCCCC2)(C2CCCCCC2)P(C2CCCCCCCCC2)C2CCCCCC2)C1.
What is the InChIKey of [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane?
The InChIKey is GGQJHARSVQQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H94P2/c1-2-7-11-24-40-51(39-23-10-6-1)58(52-41-25-14-15-26-42-52,56-46-30-44-54(56)48-33-27-28-34-48,55-45-29-43-53(55)47-31-17-16-18-32-47)57(50-37-21-12-13-22-38-50)49-35-19-8-4-3-5-9-20-36-49/h29-30,43-44,47-52H,1-28,31-42,45-46H2.
What are the key properties of [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane?
[cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane has a molecular weight of 829.32 g/mol, XLogP of 19.76, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane is sourced from PubChem (CID 91159914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).