2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride

C27H25ClNOP — CID 71390486

IUPAC2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride
SMILESCOc1ccc(NC=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C27H25NOP.ClH/c1-29-24-19-17-23(18-20-24)28-21-22-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-22,28H,1H3;1H/q+1;/p-1
InChIKeyKHEJGUIFPMTBLX-UHFFFAOYSA-M
MW445.93 g/mol
LogP2.58
Rot. Bonds7

About 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride

2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride (PubChem CID 71390486) has the molecular formula C27H25ClNOP and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride
PubChem CID71390486
Molecular FormulaC27H25ClNOP
Molecular Weight445.93 g/mol
Exact Mass445.14
IUPAC Name2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride
SMILESCOc1ccc(NC=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C27H25NOP.ClH/c1-29-24-19-17-23(18-20-24)28-21-22-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-22,28H,1H3;1H/q+1;/p-1
InChIKeyKHEJGUIFPMTBLX-UHFFFAOYSA-M
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium
CID 101092740
benzene;bis(N-prop-1-enylaniline)
CID 70363490
(E)-1-(4-methoxyphenyl)-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346380
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline
CID 102394661
2-[(4-methoxyanilino)methylidene]propanedioic acid
CID 18473105
ethyl-(4-methoxyphenoxy)-phenoxy-phenylphosphanium
CID 175002746
4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
CID 6438043
3-anilino-2-(4-methoxyphenyl)prop-2-enoic acid
CID 70039469
1-N,4-N-bis(prop-1-enyl)benzene-1,4-diamine
CID 150631626
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride?
The IUPAC name of 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride (CID 71390486) is 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride.
What is the SMILES notation for 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride?
The canonical SMILES for 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride is COc1ccc(NC=C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride?
The InChIKey is KHEJGUIFPMTBLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H25NOP.ClH/c1-29-24-19-17-23(18-20-24)28-21-22-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-22,28H,1H3;1H/q+1;/p-1.
What are the key properties of 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride?
2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride has a molecular weight of 445.93 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride is sourced from PubChem (CID 71390486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).