tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium

C16H30N4P+ — CID 10794043

IUPACtris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
SMILESCN(C)c1ccc(/C=C/[P+](N(C)C)(N(C)C)N(C)C)cc1
InChIInChI=1S/C16H30N4P/c1-17(2)16-11-9-15(10-12-16)13-14-21(18(3)4,19(5)6)20(7)8/h9-14H,1-8H3/q+1/b14-13+
InChIKeyHCXZDJXYJASGBH-BUHFOSPRSA-N
MW309.42 g/mol
LogP3.17
Rot. Bonds6

About tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium

tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium (PubChem CID 10794043) has the molecular formula C16H30N4P+ and a molecular weight of 309.42 g/mol. Its IUPAC name is tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium.

Molecular Properties

Compound Nametris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
PubChem CID10794043
Molecular FormulaC16H30N4P+
Molecular Weight309.42 g/mol
Exact Mass309.22
IUPAC Nametris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
SMILESCN(C)c1ccc(/C=C/[P+](N(C)C)(N(C)C)N(C)C)cc1
InChIInChI=1S/C16H30N4P/c1-17(2)16-11-9-15(10-12-16)13-14-21(18(3)4,19(5)6)20(7)8/h9-14H,1-8H3/q+1/b14-13+
InChIKeyHCXZDJXYJASGBH-BUHFOSPRSA-N
XLogP3.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride
CID 11726818
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline
CID 101464618
2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile
CID 151230311
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
CID 56837713
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433

Frequently Asked Questions

What is the IUPAC name of tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium?
The IUPAC name of tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium (CID 10794043) is tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium.
What is the SMILES notation for tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium?
The canonical SMILES for tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium is CN(C)c1ccc(/C=C/[P+](N(C)C)(N(C)C)N(C)C)cc1.
What is the InChIKey of tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium?
The InChIKey is HCXZDJXYJASGBH-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H30N4P/c1-17(2)16-11-9-15(10-12-16)13-14-21(18(3)4,19(5)6)20(7)8/h9-14H,1-8H3/q+1/b14-13+.
What are the key properties of tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium?
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium has a molecular weight of 309.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium is sourced from PubChem (CID 10794043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).