tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane

C48H97N16P5 — CID 15249816

IUPACtert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane
SMILESCC(C)(C)N=P(N=P(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)(N1CCCC1)N1CCCC1)(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)N=P(N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C48H97N16P5/c1-48(2,3)49-65(51-67(56-30-8-9-31-56,57-32-10-11-33-57)58-34-12-13-35-58,52-68(59-36-14-15-37-59,60-38-16-17-39-60)61-40-18-19-41-61)50-66(54-26-4-5-27-54,55-28-6-7-29-55)53-69(62-42-20-21-43-62,63-44-22-23-45-63)64-46-24-25-47-64/h4-47H2,1-3H3
InChIKeyDSJNGTLVGKSQLH-UHFFFAOYSA-N
MW1053.29 g/mol
LogP12.57
Rot. Bonds15

About tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane

tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane (PubChem CID 15249816) has the molecular formula C48H97N16P5 and a molecular weight of 1053.29 g/mol. Its IUPAC name is tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane.

Molecular Properties

Compound Nametert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane
PubChem CID15249816
Molecular FormulaC48H97N16P5
Molecular Weight1053.29 g/mol
Exact Mass1052.68
IUPAC Nametert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane
SMILESCC(C)(C)N=P(N=P(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)(N1CCCC1)N1CCCC1)(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)N=P(N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C48H97N16P5/c1-48(2,3)49-65(51-67(56-30-8-9-31-56,57-32-10-11-33-57)58-34-12-13-35-58,52-68(59-36-14-15-37-59,60-38-16-17-39-60)61-40-18-19-41-61)50-66(54-26-4-5-27-54,55-28-6-7-29-55)53-69(62-42-20-21-43-62,63-44-22-23-45-63)64-46-24-25-47-64/h4-47H2,1-3H3
InChIKeyDSJNGTLVGKSQLH-UHFFFAOYSA-N
XLogP12.57
TPSA97.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.29
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane with MolForge

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Related Compounds

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imino-tri(piperidin-1-yl)-λ5-phosphane
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1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline
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CID 551065

Frequently Asked Questions

What is the IUPAC name of tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane?
The IUPAC name of tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane (CID 15249816) is tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane.
What is the SMILES notation for tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane?
The canonical SMILES for tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane is CC(C)(C)N=P(N=P(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)(N1CCCC1)N1CCCC1)(N=P(N1CCCC1)(N1CCCC1)N1CCCC1)N=P(N1CCCC1)(N1CCCC1)N1CCCC1.
What is the InChIKey of tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane?
The InChIKey is DSJNGTLVGKSQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H97N16P5/c1-48(2,3)49-65(51-67(56-30-8-9-31-56,57-32-10-11-33-57)58-34-12-13-35-58,52-68(59-36-14-15-37-59,60-38-16-17-39-60)61-40-18-19-41-61)50-66(54-26-4-5-27-54,55-28-6-7-29-55)53-69(62-42-20-21-43-62,63-44-22-23-45-63)64-46-24-25-47-64/h4-47H2,1-3H3.
What are the key properties of tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane?
tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane has a molecular weight of 1053.29 g/mol, XLogP of 12.57, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylimino-[[dipyrrolidin-1-yl-[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphanylidene]amino]-bis[(tripyrrolidin-1-yl-lambda5-phosphanylidene)amino]-lambda5-phosphane is sourced from PubChem (CID 15249816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).