tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium

C192H405N7O9P12+12 — CID 158534231

IUPACtris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCN(CC[P+](CCC)(CCC)CCC)CC[P+](CCC)(CCC)CCC
InChIInChI=1S/3C53H109N2O3P3.C33H75NP3/c3*1-10-39-59(40-11-2,41-12-3)48-25-19-22-30-51(56)32-28-36-55(37-29-33-52(57)31-23-20-26-49-60(42-13-4,43-14-5)44-15-6)38-35-54-53(58)34-24-21-27-50-61(45-16-7,46-17-8)47-18-9;1-10-22-35(23-11-2,24-12-3)31-19-34(20-32-36(25-13-4,26-14-5)27-15-6)21-33-37(28-16-7,29-17-8)30-18-9/h3*10-50H2,1-9H3;10-33H2,1-9H3/q3*+2;+3/p+3
InChIKeyMCTRGVCUCOGSMO-UHFFFAOYSA-Q
MW3328.08 g/mol
LogP57.61
Rot. Bonds168

About tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium

tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium (PubChem CID 158534231) has the molecular formula C192H405N7O9P12+12 and a molecular weight of 3328.08 g/mol. Its IUPAC name is tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium.

Molecular Properties

Compound Nametris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
PubChem CID158534231
Molecular FormulaC192H405N7O9P12+12
Molecular Weight3328.08 g/mol
Exact Mass3325.82
IUPAC Nametris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCN(CC[P+](CCC)(CCC)CCC)CC[P+](CCC)(CCC)CCC
InChIInChI=1S/3C53H109N2O3P3.C33H75NP3/c3*1-10-39-59(40-11-2,41-12-3)48-25-19-22-30-51(56)32-28-36-55(37-29-33-52(57)31-23-20-26-49-60(42-13-4,43-14-5)44-15-6)38-35-54-53(58)34-24-21-27-50-61(45-16-7,46-17-8)47-18-9;1-10-22-35(23-11-2,24-12-3)31-19-34(20-32-36(25-13-4,26-14-5)27-15-6)21-33-37(28-16-7,29-17-8)30-18-9/h3*10-50H2,1-9H3;10-33H2,1-9H3/q3*+2;+3/p+3
InChIKeyMCTRGVCUCOGSMO-UHFFFAOYSA-Q
XLogP57.61
TPSA202.68 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds168
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003328.08
LogP ≤ 557.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium 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

N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
3-[bis[3-[bis[6-(diethylamino)-3-oxohexyl]amino]propyl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 165064161
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-[2-[[3-[2-[[3-[2-[[3-[2-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-3-oxohexyl)amino]ethylamino]-3-oxopropyl]-[6-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-3-oxohexyl)amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]butanamide
CID 58409277
N,N'-dipropyldecanediamide
CID 102239298
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331

Frequently Asked Questions

What is the IUPAC name of tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
The IUPAC name of tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium (CID 158534231) is tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium.
What is the SMILES notation for tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
The canonical SMILES for tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium is CCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCCCCC(=O)CCCN(CCCC(=O)CCCCC[P+](CCC)(CCC)CCC)CCNC(=O)CCCCC[P+](CCC)(CCC)CCC.CCC[P+](CCC)(CCC)CCN(CC[P+](CCC)(CCC)CCC)CC[P+](CCC)(CCC)CCC.
What is the InChIKey of tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
The InChIKey is MCTRGVCUCOGSMO-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C53H109N2O3P3.C33H75NP3/c3*1-10-39-59(40-11-2,41-12-3)48-25-19-22-30-51(56)32-28-36-55(37-29-33-52(57)31-23-20-26-49-60(42-13-4,43-14-5)44-15-6)38-35-54-53(58)34-24-21-27-50-61(45-16-7,46-17-8)47-18-9;1-10-22-35(23-11-2,24-12-3)31-19-34(20-32-36(25-13-4,26-14-5)27-15-6)21-33-37(28-16-7,29-17-8)30-18-9/h3*10-50H2,1-9H3;10-33H2,1-9H3/q3*+2;+3/p+3.
What are the key properties of tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium?
tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium has a molecular weight of 3328.08 g/mol, XLogP of 57.61, 168 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris([6-[2-[bis(4-oxo-9-tripropylphosphaniumylnonyl)amino]ethylamino]-6-oxohexyl]-tripropylphosphanium);2-[bis(2-tripropylphosphaniumylethyl)amino]ethyl-tripropylphosphanium is sourced from PubChem (CID 158534231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).