[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide

C35H31BrN2OP+ — CID 126958888

IUPAC[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
SMILESBr.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H30N2OP.BrH/c1-28(36-37-34(29-17-7-2-8-18-29)35(38)30-19-9-3-10-20-30)27-39(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33;/h2-26H,27H2,1H3;1H/q+1;/b36-28+,37-34+;
InChIKeyRLKNZYCZGUARIO-FJLBWUEHSA-N
MW606.52 g/mol
LogP7.31
Rot. Bonds9

About [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide

[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide (PubChem CID 126958888) has the molecular formula C35H31BrN2OP+ and a molecular weight of 606.52 g/mol. Its IUPAC name is [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
PubChem CID126958888
Molecular FormulaC35H31BrN2OP+
Molecular Weight606.52 g/mol
Exact Mass605.14
IUPAC Name[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
SMILESBr.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C35H30N2OP.BrH/c1-28(36-37-34(29-17-7-2-8-18-29)35(38)30-19-9-3-10-20-30)27-39(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33;/h2-26H,27H2,1H3;1H/q+1;/b36-28+,37-34+;
InChIKeyRLKNZYCZGUARIO-FJLBWUEHSA-N
XLogP7.31
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.52
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Related Compounds

[(2E)-2-[[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126958934
[(2E)-2-[bis(4-chlorophenyl)methylidenehydrazinylidene]propyl]-triphenylphosphanium;hydrobromide
CID 126959618
[(2E)-2-[(E)-[(4-chlorophenyl)-phenylmethylidene]hydrazinylidene]propyl]-triphenylphosphanium
CID 99078907
(2-oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;dihydrobromide
CID 126957206
triphenyl(2-phenyliminopropyl)phosphanium
CID 23415425
(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
2-[1-(4-tert-butylphenyl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 3524909
(2Z)-2-[(Z)-1-(5-methylfuran-2-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 7612621
(2Z)-1,2-diphenyl-2-[(Z)-1-pyridin-3-ylethylidenehydrazinylidene]ethanone
CID 6524389
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
CID 9074410
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The IUPAC name of [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide (CID 126958888) is [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide.
What is the SMILES notation for [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The canonical SMILES for [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide is Br.C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
The InChIKey is RLKNZYCZGUARIO-FJLBWUEHSA-N. The full InChI is InChI=1S/C35H30N2OP.BrH/c1-28(36-37-34(29-17-7-2-8-18-29)35(38)30-19-9-3-10-20-30)27-39(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33;/h2-26H,27H2,1H3;1H/q+1;/b36-28+,37-34+;.
What are the key properties of [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide?
[(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide has a molecular weight of 606.52 g/mol, XLogP of 7.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]propyl]-triphenylphosphanium;hydrobromide is sourced from PubChem (CID 126958888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).