[(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate

C34H25NO2 — CID 12687432

IUPAC[(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate
SMILESO=C(O/C(=C(/N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H25NO2/c36-34(30-24-14-5-15-25-30)37-33(29-22-12-4-13-23-29)32(28-20-10-3-11-21-28)35-31(26-16-6-1-7-17-26)27-18-8-2-9-19-27/h1-25H/b33-32+
InChIKeyHNIUEPFMMHSSHB-ULIFNZDWSA-N
MW479.58 g/mol
LogP7.91
Rot. Bonds7

About [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate

[(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate (PubChem CID 12687432) has the molecular formula C34H25NO2 and a molecular weight of 479.58 g/mol. Its IUPAC name is [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate.

Molecular Properties

Compound Name[(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate
PubChem CID12687432
Molecular FormulaC34H25NO2
Molecular Weight479.58 g/mol
Exact Mass479.19
IUPAC Name[(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate
SMILESO=C(O/C(=C(/N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H25NO2/c36-34(30-24-14-5-15-25-30)37-33(29-22-12-4-13-23-29)32(28-20-10-3-11-21-28)35-31(26-16-6-1-7-17-26)27-18-8-2-9-19-27/h1-25H/b33-32+
InChIKeyHNIUEPFMMHSSHB-ULIFNZDWSA-N
XLogP7.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate?
The IUPAC name of [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate (CID 12687432) is [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate.
What is the SMILES notation for [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate?
The canonical SMILES for [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate is O=C(O/C(=C(/N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate?
The InChIKey is HNIUEPFMMHSSHB-ULIFNZDWSA-N. The full InChI is InChI=1S/C34H25NO2/c36-34(30-24-14-5-15-25-30)37-33(29-22-12-4-13-23-29)32(28-20-10-3-11-21-28)35-31(26-16-6-1-7-17-26)27-18-8-2-9-19-27/h1-25H/b33-32+.
What are the key properties of [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate?
[(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate has a molecular weight of 479.58 g/mol, XLogP of 7.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzhydrylideneamino)-1,2-diphenylethenyl] benzoate is sourced from PubChem (CID 12687432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).