[(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium

C30H30N2OP+ — CID 45129074

IUPAC[(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium
SMILESCN(C)/C=C(/N(C)C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30N2OP/c1-31(2)24-29(32(3)30(33)25-16-8-4-9-17-25)34(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24H,1-3H3/q+1/b29-24-
InChIKeyWLQMKMSUBSXKIQ-OLFWJLLRSA-N
MW465.56 g/mol
LogP5.11
Rot. Bonds7

About [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium

[(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium (PubChem CID 45129074) has the molecular formula C30H30N2OP+ and a molecular weight of 465.56 g/mol. Its IUPAC name is [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium
PubChem CID45129074
Molecular FormulaC30H30N2OP+
Molecular Weight465.56 g/mol
Exact Mass465.21
IUPAC Name[(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium
SMILESCN(C)/C=C(/N(C)C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30N2OP/c1-31(2)24-29(32(3)30(33)25-16-8-4-9-17-25)34(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24H,1-3H3/q+1/b29-24-
InChIKeyWLQMKMSUBSXKIQ-OLFWJLLRSA-N
XLogP5.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium?
The IUPAC name of [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium (CID 45129074) is [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium is CN(C)/C=C(/N(C)C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium?
The InChIKey is WLQMKMSUBSXKIQ-OLFWJLLRSA-N. The full InChI is InChI=1S/C30H30N2OP/c1-31(2)24-29(32(3)30(33)25-16-8-4-9-17-25)34(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-24H,1-3H3/q+1/b29-24-.
What are the key properties of [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium?
[(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium has a molecular weight of 465.56 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[benzoyl(methyl)amino]-2-(dimethylamino)ethenyl]-triphenylphosphanium is sourced from PubChem (CID 45129074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).