di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane

C37H64P2 — CID 90109862

IUPACdi(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane
SMILESC1=CC(P(C2CCCCCCC2)C2CCCCCCC2)C(P(C2CCCCCCC2)C2CCCCCCC2)=C1
InChIInChI=1S/C37H64P2/c1-5-13-22-32(23-14-6-1)38(33-24-15-7-2-8-16-25-33)36-30-21-31-37(36)39(34-26-17-9-3-10-18-27-34)35-28-19-11-4-12-20-29-35/h21,30-36H,1-20,22-29H2
InChIKeyURTPFBDXLBVMQL-UHFFFAOYSA-N
MW570.87 g/mol
LogP13.22
Rot. Bonds6

About di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane

di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane (PubChem CID 90109862) has the molecular formula C37H64P2 and a molecular weight of 570.87 g/mol. Its IUPAC name is di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane.

Molecular Properties

Compound Namedi(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane
PubChem CID90109862
Molecular FormulaC37H64P2
Molecular Weight570.87 g/mol
Exact Mass570.45
IUPAC Namedi(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane
SMILESC1=CC(P(C2CCCCCCC2)C2CCCCCCC2)C(P(C2CCCCCCC2)C2CCCCCCC2)=C1
InChIInChI=1S/C37H64P2/c1-5-13-22-32(23-14-6-1)38(33-24-15-7-2-8-16-25-33)36-30-21-31-37(36)39(34-26-17-9-3-10-18-27-34)35-28-19-11-4-12-20-29-35/h21,30-36H,1-20,22-29H2
InChIKeyURTPFBDXLBVMQL-UHFFFAOYSA-N
XLogP13.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.87
LogP ≤ 513.22
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

dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane
CID 176536164
dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 70820745
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 162411834
tri(cyclododecyl)phosphane
CID 19065577
tri(cyclooctyl)phosphane
CID 12970661
silane;tricyclohexylphosphane
CID 158384701
CID 11297590
CID 11297590
bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250
gold(1+);tricyclohexylphosphane
CID 161082953
phosphane;tricyclohexylphosphane
CID 87084185
cobalt(2+);bis(tricyclohexylphosphane);dichloride
CID 171703558

Frequently Asked Questions

What is the IUPAC name of di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane?
The IUPAC name of di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane (CID 90109862) is di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane.
What is the SMILES notation for di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane?
The canonical SMILES for di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane is C1=CC(P(C2CCCCCCC2)C2CCCCCCC2)C(P(C2CCCCCCC2)C2CCCCCCC2)=C1.
What is the InChIKey of di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane?
The InChIKey is URTPFBDXLBVMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64P2/c1-5-13-22-32(23-14-6-1)38(33-24-15-7-2-8-16-25-33)36-30-21-31-37(36)39(34-26-17-9-3-10-18-27-34)35-28-19-11-4-12-20-29-35/h21,30-36H,1-20,22-29H2.
What are the key properties of di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane?
di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane has a molecular weight of 570.87 g/mol, XLogP of 13.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane is sourced from PubChem (CID 90109862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).