tributyl-[4-(didecylamino)phenyl]phosphanium

C38H73NP+ — CID 151289967

IUPACtributyl-[4-(didecylamino)phenyl]phosphanium
SMILESCCCCCCCCCCN(CCCCCCCCCC)c1ccc([P+](CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/C38H73NP/c1-6-11-16-18-20-22-24-26-32-39(33-27-25-23-21-19-17-12-7-2)37-28-30-38(31-29-37)40(34-13-8-3,35-14-9-4)36-15-10-5/h28-31H,6-27,32-36H2,1-5H3/q+1
InChIKeyRRHGIYOZPFNUAR-UHFFFAOYSA-N
MW574.98 g/mol
LogP12.82
Rot. Bonds29

About tributyl-[4-(didecylamino)phenyl]phosphanium

tributyl-[4-(didecylamino)phenyl]phosphanium (PubChem CID 151289967) has the molecular formula C38H73NP+ and a molecular weight of 574.98 g/mol. Its IUPAC name is tributyl-[4-(didecylamino)phenyl]phosphanium.

Molecular Properties

Compound Nametributyl-[4-(didecylamino)phenyl]phosphanium
PubChem CID151289967
Molecular FormulaC38H73NP+
Molecular Weight574.98 g/mol
Exact Mass574.55
IUPAC Nametributyl-[4-(didecylamino)phenyl]phosphanium
SMILESCCCCCCCCCCN(CCCCCCCCCC)c1ccc([P+](CCCC)(CCCC)CCCC)cc1
InChIInChI=1S/C38H73NP/c1-6-11-16-18-20-22-24-26-32-39(33-27-25-23-21-19-17-12-7-2)37-28-30-38(31-29-37)40(34-13-8-3,35-14-9-4)36-15-10-5/h28-31H,6-27,32-36H2,1-5H3/q+1
InChIKeyRRHGIYOZPFNUAR-UHFFFAOYSA-N
XLogP12.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.98
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N,N-diheptyl-4-methylaniline
CID 20558578
4-fluoro-N,N-dioctylaniline
CID 91747748
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-[nonyl(pentyl)amino]phenol
CID 174874757
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
4-[2-[4-(dihexylamino)phenyl]ethynyl]-N,N-dihexylaniline
CID 102578786
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N,4-dibutyl-N-octylaniline
CID 175203597
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
bis(4-N-[4-[4-(dioctylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-4-N-[4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine);fluoroboronic acid
CID 173423264

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(didecylamino)phenyl]phosphanium?
The IUPAC name of tributyl-[4-(didecylamino)phenyl]phosphanium (CID 151289967) is tributyl-[4-(didecylamino)phenyl]phosphanium.
What is the SMILES notation for tributyl-[4-(didecylamino)phenyl]phosphanium?
The canonical SMILES for tributyl-[4-(didecylamino)phenyl]phosphanium is CCCCCCCCCCN(CCCCCCCCCC)c1ccc([P+](CCCC)(CCCC)CCCC)cc1.
What is the InChIKey of tributyl-[4-(didecylamino)phenyl]phosphanium?
The InChIKey is RRHGIYOZPFNUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H73NP/c1-6-11-16-18-20-22-24-26-32-39(33-27-25-23-21-19-17-12-7-2)37-28-30-38(31-29-37)40(34-13-8-3,35-14-9-4)36-15-10-5/h28-31H,6-27,32-36H2,1-5H3/q+1.
What are the key properties of tributyl-[4-(didecylamino)phenyl]phosphanium?
tributyl-[4-(didecylamino)phenyl]phosphanium has a molecular weight of 574.98 g/mol, XLogP of 12.82, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(didecylamino)phenyl]phosphanium is sourced from PubChem (CID 151289967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).