(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine

C18H12Br2Cl2N2 — CID 43835164

IUPAC(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine
SMILESCl/C(=C\C=N\N=C\C=C(/Cl)c1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C18H12Br2Cl2N2/c19-15-5-1-3-13(11-15)17(21)7-9-23-24-10-8-18(22)14-4-2-6-16(20)12-14/h1-12H/b17-7-,18-8-,23-9+,24-10+
InChIKeyQXVHJVKGMLECJR-FBGFMTOBSA-N
MW487.02 g/mol
LogP7.13
Rot. Bonds5

About (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine

(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine (PubChem CID 43835164) has the molecular formula C18H12Br2Cl2N2 and a molecular weight of 487.02 g/mol. Its IUPAC name is (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine.

Molecular Properties

Compound Name(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine
PubChem CID43835164
Molecular FormulaC18H12Br2Cl2N2
Molecular Weight487.02 g/mol
Exact Mass483.87
IUPAC Name(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine
SMILESCl/C(=C\C=N\N=C\C=C(/Cl)c1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C18H12Br2Cl2N2/c19-15-5-1-3-13(11-15)17(21)7-9-23-24-10-8-18(22)14-4-2-6-16(20)12-14/h1-12H/b17-7-,18-8-,23-9+,24-10+
InChIKeyQXVHJVKGMLECJR-FBGFMTOBSA-N
XLogP7.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 57.13
H-Bond Donors ≤ 50
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'}

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Related Compounds

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CID 15456668
(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
CID 125475811
1-bromo-3-[(2E)-penta-2,4-dien-2-yl]benzene
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1-bromo-3-[(2E,4Z)-hexa-2,4-dien-2-yl]benzene
CID 137396566
3-bromo-N-sulfanylidenebenzamide
CID 58039708
1-(3-bromophenyl)-2,2-dichloroethanone
CID 15937137
3-bromo-N-[(3-bromophenyl)-chloromethylidene]-4-methylbenzenecarbohydrazonoyl chloride
CID 123309904
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
CID 174087166
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001

Frequently Asked Questions

What is the IUPAC name of (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine?
The IUPAC name of (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine (CID 43835164) is (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine.
What is the SMILES notation for (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine?
The canonical SMILES for (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine is Cl/C(=C\C=N\N=C\C=C(/Cl)c1cccc(Br)c1)c1cccc(Br)c1.
What is the InChIKey of (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine?
The InChIKey is QXVHJVKGMLECJR-FBGFMTOBSA-N. The full InChI is InChI=1S/C18H12Br2Cl2N2/c19-15-5-1-3-13(11-15)17(21)7-9-23-24-10-8-18(22)14-4-2-6-16(20)12-14/h1-12H/b17-7-,18-8-,23-9+,24-10+.
What are the key properties of (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine?
(E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine has a molecular weight of 487.02 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-3-(3-bromophenyl)-N-[(E)-[(Z)-3-(3-bromophenyl)-3-chloroprop-2-enylidene]amino]-3-chloroprop-2-en-1-imine is sourced from PubChem (CID 43835164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).