(Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide

C32H33BrN2 — CID 167016679

IUPAC(Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide
SMILESC/C=C(C/C=C\Cc1ccccc1)/C(=N\C(=C\CC)c1ccccc1)/N=C(\C)c1ccccc1Br
InChIInChI=1S/C32H33BrN2/c1-4-16-31(28-21-10-7-11-22-28)35-32(34-25(3)29-23-14-15-24-30(29)33)27(5-2)20-13-12-19-26-17-8-6-9-18-26/h5-18,21-24H,4,19-20H2,1-3H3/b13-12-,27-5+,31-16+,34-25+,35-32+
InChIKeyGSJVGVLJJRVMFS-CUTFZTCCSA-N
MW525.53 g/mol
LogP9.24
Rot. Bonds9

About (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide

(Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide (PubChem CID 167016679) has the molecular formula C32H33BrN2 and a molecular weight of 525.53 g/mol. Its IUPAC name is (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide.

Molecular Properties

Compound Name(Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide
PubChem CID167016679
Molecular FormulaC32H33BrN2
Molecular Weight525.53 g/mol
Exact Mass524.18
IUPAC Name(Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide
SMILESC/C=C(C/C=C\Cc1ccccc1)/C(=N\C(=C\CC)c1ccccc1)/N=C(\C)c1ccccc1Br
InChIInChI=1S/C32H33BrN2/c1-4-16-31(28-21-10-7-11-22-28)35-32(34-25(3)29-23-14-15-24-30(29)33)27(5-2)20-13-12-19-26-17-8-6-9-18-26/h5-18,21-24H,4,19-20H2,1-3H3/b13-12-,27-5+,31-16+,34-25+,35-32+
InChIKeyGSJVGVLJJRVMFS-CUTFZTCCSA-N
XLogP9.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.53
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,2E)-N'-[(E)-1-(3-bromophenyl)but-1-enyl]-2-ethylidene-N-(1-phenylethylidene)pent-3-enimidamide
CID 144892656
N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
CID 145334764
N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144573951
[(E)-oct-2-enyl]benzene
CID 13383320
1-(4-bromophenyl)-N-[(Z)-1-phenylprop-1-enyl]ethanimine
CID 145462827
N-methoxy-7-phenylhept-5-en-2-imine
CID 581035
(Z,E)-N-methoxy-7-phenylhept-5-en-2-imine
CID 5371509
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
N-[(E)-1-phenylbut-1-enyl]-1-triphenylen-2-ylpropan-1-imine
CID 138548623
9-phenyldodeca-2,6,9-trien-1-amine
CID 54397231
1-bromobut-1-enylbenzene
CID 73187599

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide?
The IUPAC name of (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide (CID 167016679) is (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide.
What is the SMILES notation for (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide?
The canonical SMILES for (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide is C/C=C(C/C=C\Cc1ccccc1)/C(=N\C(=C\CC)c1ccccc1)/N=C(\C)c1ccccc1Br.
What is the InChIKey of (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide?
The InChIKey is GSJVGVLJJRVMFS-CUTFZTCCSA-N. The full InChI is InChI=1S/C32H33BrN2/c1-4-16-31(28-21-10-7-11-22-28)35-32(34-25(3)29-23-14-15-24-30(29)33)27(5-2)20-13-12-19-26-17-8-6-9-18-26/h5-18,21-24H,4,19-20H2,1-3H3/b13-12-,27-5+,31-16+,34-25+,35-32+.
What are the key properties of (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide?
(Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide has a molecular weight of 525.53 g/mol, XLogP of 9.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-[1-(2-bromophenyl)ethylidene]-2-ethylidene-6-phenyl-N'-[(E)-1-phenylbut-1-enyl]hex-4-enimidamide is sourced from PubChem (CID 167016679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).