triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide

C29H28BrN2P — CID 118798992

IUPACtriphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide
SMILESC/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N/N=C(\C)c1ccccc1.[Br-]
InChIInChI=1S/C29H28N2P.BrH/c1-24(30-31-25(2)26-15-7-3-8-16-26)23-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29;/h3-23,30H,1-2H3;1H/q+1;/p-1/b24-23+,31-25+;
InChIKeyDGIYORWSVXTBRD-OYPZHUASSA-M
MW515.44 g/mol
LogP2.86
Rot. Bonds7

About triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide

triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide (PubChem CID 118798992) has the molecular formula C29H28BrN2P and a molecular weight of 515.44 g/mol. Its IUPAC name is triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide.

Molecular Properties

Compound Nametriphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide
PubChem CID118798992
Molecular FormulaC29H28BrN2P
Molecular Weight515.44 g/mol
Exact Mass514.12
IUPAC Nametriphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide
SMILESC/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N/N=C(\C)c1ccccc1.[Br-]
InChIInChI=1S/C29H28N2P.BrH/c1-24(30-31-25(2)26-15-7-3-8-16-26)23-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29;/h3-23,30H,1-2H3;1H/q+1;/p-1/b24-23+,31-25+;
InChIKeyDGIYORWSVXTBRD-OYPZHUASSA-M
XLogP2.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide?
The IUPAC name of triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide (CID 118798992) is triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide.
What is the SMILES notation for triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide?
The canonical SMILES for triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide is C/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N/N=C(\C)c1ccccc1.[Br-].
What is the InChIKey of triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide?
The InChIKey is DGIYORWSVXTBRD-OYPZHUASSA-M. The full InChI is InChI=1S/C29H28N2P.BrH/c1-24(30-31-25(2)26-15-7-3-8-16-26)23-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29;/h3-23,30H,1-2H3;1H/q+1;/p-1/b24-23+,31-25+;.
What are the key properties of triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide?
triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide has a molecular weight of 515.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(E)-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]prop-1-enyl]phosphanium bromide is sourced from PubChem (CID 118798992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).