[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium

C28H27NOP+ — CID 101092740

IUPAC[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium
SMILESCOc1ccc(N/C(C)=C/[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27NOP/c1-23(29-24-18-20-25(30-2)21-19-24)22-31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-22,29H,1-2H3/q+1/b23-22+
InChIKeyYGJAJHWTYOJHJM-GHVJWSGMSA-N
MW424.50 g/mol
LogP5.96
Rot. Bonds7

About [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium

[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium (PubChem CID 101092740) has the molecular formula C28H27NOP+ and a molecular weight of 424.50 g/mol. Its IUPAC name is [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium
PubChem CID101092740
Molecular FormulaC28H27NOP+
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium
SMILESCOc1ccc(N/C(C)=C/[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27NOP/c1-23(29-24-18-20-25(30-2)21-19-24)22-31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-22,29H,1-2H3/q+1/b23-22+
InChIKeyYGJAJHWTYOJHJM-GHVJWSGMSA-N
XLogP5.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.96
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)-3-(4-methoxyanilino)-N-phenylbut-2-enethioamide
CID 5336042
2-(4-methoxyanilino)ethenyl-triphenylphosphanium chloride
CID 71390486
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
1-(4-methoxyanilino)-3-phenylthiourea
CID 14147208
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
(Z)-1-(4-bromophenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 5408042
(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine
CID 145175993
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium?
The IUPAC name of [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium (CID 101092740) is [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium.
What is the SMILES notation for [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium?
The canonical SMILES for [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium is COc1ccc(N/C(C)=C/[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium?
The InChIKey is YGJAJHWTYOJHJM-GHVJWSGMSA-N. The full InChI is InChI=1S/C28H27NOP/c1-23(29-24-18-20-25(30-2)21-19-24)22-31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-22,29H,1-2H3/q+1/b23-22+.
What are the key properties of [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium?
[(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium has a molecular weight of 424.50 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(4-methoxyanilino)prop-1-enyl]-triphenylphosphanium is sourced from PubChem (CID 101092740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).