bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane

C36H72N12P4 — CID 87919987

IUPACbis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane
SMILESC1CCN(P(=NP(N=P(N2CCCC2)(N2CCCC2)N2CCCC2)N=P(N2CCCC2)(N2CCCC2)N2CCCC2)(N2CCCC2)N2CCCC2)C1
InChIInChI=1S/C36H72N12P4/c1-2-20-40(19-1)50(41-21-3-4-22-41,42-23-5-6-24-42)37-49(38-51(43-25-7-8-26-43,44-27-9-10-28-44)45-29-11-12-30-45)39-52(46-31-13-14-32-46,47-33-15-16-34-47)48-35-17-18-36-48/h1-36H2
InChIKeyIFCYLTVTZQQILL-UHFFFAOYSA-N
MW796.95 g/mol
LogP8.91
Rot. Bonds12

About bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane

bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane (PubChem CID 87919987) has the molecular formula C36H72N12P4 and a molecular weight of 796.95 g/mol. Its IUPAC name is bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane.

Molecular Properties

Compound Namebis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane
PubChem CID87919987
Molecular FormulaC36H72N12P4
Molecular Weight796.95 g/mol
Exact Mass796.50
IUPAC Namebis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane
SMILESC1CCN(P(=NP(N=P(N2CCCC2)(N2CCCC2)N2CCCC2)N=P(N2CCCC2)(N2CCCC2)N2CCCC2)(N2CCCC2)N2CCCC2)C1
InChIInChI=1S/C36H72N12P4/c1-2-20-40(19-1)50(41-21-3-4-22-41,42-23-5-6-24-42)37-49(38-51(43-25-7-8-26-43,44-27-9-10-28-44)45-29-11-12-30-45)39-52(46-31-13-14-32-46,47-33-15-16-34-47)48-35-17-18-36-48/h1-36H2
InChIKeyIFCYLTVTZQQILL-UHFFFAOYSA-N
XLogP8.91
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.95
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane?
The IUPAC name of bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane (CID 87919987) is bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane.
What is the SMILES notation for bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane?
The canonical SMILES for bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane is C1CCN(P(=NP(N=P(N2CCCC2)(N2CCCC2)N2CCCC2)N=P(N2CCCC2)(N2CCCC2)N2CCCC2)(N2CCCC2)N2CCCC2)C1.
What is the InChIKey of bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane?
The InChIKey is IFCYLTVTZQQILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N12P4/c1-2-20-40(19-1)50(41-21-3-4-22-41,42-23-5-6-24-42)37-49(38-51(43-25-7-8-26-43,44-27-9-10-28-44)45-29-11-12-30-45)39-52(46-31-13-14-32-46,47-33-15-16-34-47)48-35-17-18-36-48/h1-36H2.
What are the key properties of bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane?
bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane has a molecular weight of 796.95 g/mol, XLogP of 8.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]phosphanylimino-tripyrrolidin-1-yl-λ5-phosphane is sourced from PubChem (CID 87919987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).