[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium

C50H52N6O6P2+2 — CID 23387092

IUPAC[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium
SMILESO=C(CNC(=O)CNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCCNC(=O)CNC(=O)CNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H50N6O6P2/c57-45(33-53-47(59)35-55-49(61)37-63(39-19-7-1-8-20-39,40-21-9-2-10-22-40)41-23-11-3-12-24-41)51-31-32-52-46(58)34-54-48(60)36-56-50(62)38-64(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-30H,31-38H2,(H4-2,51,52,53,54,55,56,57,58,59,60,61,62)/p+2
InChIKeyZFJPIHCJQYDRSW-UHFFFAOYSA-P
MW894.95 g/mol
LogP1.67
Rot. Bonds21

About [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium

[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium (PubChem CID 23387092) has the molecular formula C50H52N6O6P2+2 and a molecular weight of 894.95 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium
PubChem CID23387092
Molecular FormulaC50H52N6O6P2+2
Molecular Weight894.95 g/mol
Exact Mass894.34
IUPAC Name[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium
SMILESO=C(CNC(=O)CNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCCNC(=O)CNC(=O)CNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H50N6O6P2/c57-45(33-53-47(59)35-55-49(61)37-63(39-19-7-1-8-20-39,40-21-9-2-10-22-40)41-23-11-3-12-24-41)51-31-32-52-46(58)34-54-48(60)36-56-50(62)38-64(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-30H,31-38H2,(H4-2,51,52,53,54,55,56,57,58,59,60,61,62)/p+2
InChIKeyZFJPIHCJQYDRSW-UHFFFAOYSA-P
XLogP1.67
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.95
LogP ≤ 51.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triphenyl-[2-[2-(2-triphenylphosphaniumylethylamino)ethylamino]ethyl]phosphonium
CID 373731
[3-[(2-Aminoacetyl)amino]propyl-triphenyl-lambda5-phosphanyl] 2,2,2-trifluoroacetate
CID 140698652
Bis(3-[(2-aminoacetyl)amino]propyl-triphenylphosphanium);bis(2,2,2-trifluoroacetate)
CID 160834488
N,N'-bis(2-diphenylphosphinoylacetyl)piperazine
CID 20106196
4,7-Bis(diphenylphosphinoylacetyl)-4,7-diazadecane
CID 129767497
5,8-Dimethyl-2,11-bis(diphenylphosphinoylacetyl)-2,5,8,11-tetraazadodecane
CID 129767749
N,N'-propylenebis(diphenylphosphorylacetamide)
CID 129878046
[3-(Iodoacetamido)propyl]triphenylphosphonium tetraphenylborate
CID 139078335
N,N'-bis[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]oxamide
CID 101012900
1-[4-(2-Diphenylphosphinothioylacetyl)piperazin-1-yl]-2-[methylidene(diphenyl)-lambda5-phosphanyl]ethanone
CID 21023284
2-Diphenylphosphinothioyl-1-[4-(2-diphenylphosphinothioylacetyl)piperazin-1-yl]ethanone
CID 21023289
[1-Oxo-1-[3-[3-[3-[3-(2-triphenylphosphaniumylpropanoylamino)propoxy]propylcarbamoylamino]propoxy]propylamino]propan-2-yl]-triphenylphosphanium
CID 23387091

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium?
The IUPAC name of [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium (CID 23387092) is [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium is O=C(CNC(=O)CNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCCNC(=O)CNC(=O)CNC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium?
The InChIKey is ZFJPIHCJQYDRSW-UHFFFAOYSA-P. The full InChI is InChI=1S/C50H50N6O6P2/c57-45(33-53-47(59)35-55-49(61)37-63(39-19-7-1-8-20-39,40-21-9-2-10-22-40)41-23-11-3-12-24-41)51-31-32-52-46(58)34-54-48(60)36-56-50(62)38-64(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-30H,31-38H2,(H4-2,51,52,53,54,55,56,57,58,59,60,61,62)/p+2.
What are the key properties of [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium?
[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium has a molecular weight of 894.95 g/mol, XLogP of 1.67, 21 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-[[2-oxo-2-[2-[[2-[[2-[(2-triphenylphosphaniumylacetyl)amino]acetyl]amino]acetyl]amino]ethylamino]ethyl]amino]ethyl]amino]ethyl]-triphenylphosphanium is sourced from PubChem (CID 23387092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).