(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one

C23H15BrN2O2 — CID 11201275

IUPAC(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one
SMILESO=C1OC(c2ccc(Br)cc2)=C/C1=N\N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15BrN2O2/c24-19-13-11-16(12-14-19)21-15-20(23(27)28-21)25-26-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H/b25-20+
InChIKeyFLMFQVGJQYQDSN-LKUDQCMESA-N
MW431.29 g/mol
LogP5.24
Rot. Bonds4

About (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one

(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one (PubChem CID 11201275) has the molecular formula C23H15BrN2O2 and a molecular weight of 431.29 g/mol. Its IUPAC name is (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one.

Molecular Properties

Compound Name(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one
PubChem CID11201275
Molecular FormulaC23H15BrN2O2
Molecular Weight431.29 g/mol
Exact Mass430.03
IUPAC Name(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one
SMILESO=C1OC(c2ccc(Br)cc2)=C/C1=N\N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H15BrN2O2/c24-19-13-11-16(12-14-19)21-15-20(23(27)28-21)25-26-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H/b25-20+
InChIKeyFLMFQVGJQYQDSN-LKUDQCMESA-N
XLogP5.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one?
The IUPAC name of (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one (CID 11201275) is (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one.
What is the SMILES notation for (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one?
The canonical SMILES for (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one is O=C1OC(c2ccc(Br)cc2)=C/C1=N\N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one?
The InChIKey is FLMFQVGJQYQDSN-LKUDQCMESA-N. The full InChI is InChI=1S/C23H15BrN2O2/c24-19-13-11-16(12-14-19)21-15-20(23(27)28-21)25-26-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H/b25-20+.
What are the key properties of (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one?
(3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one has a molecular weight of 431.29 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(benzhydrylidenehydrazinylidene)-5-(4-bromophenyl)furan-2-one is sourced from PubChem (CID 11201275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).