1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole

C17H13Br2N3 — CID 155522275

IUPAC1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole
SMILESBrc1ccc(/C=C(\Cn2ccnn2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13Br2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11+
InChIKeyQMYCFUVDQQINKF-RVDMUPIBSA-N
MW419.12 g/mol
LogP5.04
Rot. Bonds4

About 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole

1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole (PubChem CID 155522275) has the molecular formula C17H13Br2N3 and a molecular weight of 419.12 g/mol. Its IUPAC name is 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole.

Molecular Properties

Compound Name1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole
PubChem CID155522275
Molecular FormulaC17H13Br2N3
Molecular Weight419.12 g/mol
Exact Mass416.95
IUPAC Name1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole
SMILESBrc1ccc(/C=C(\Cn2ccnn2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H13Br2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11+
InChIKeyQMYCFUVDQQINKF-RVDMUPIBSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.12
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2,3-diphenylprop-2-enyl]triazole
CID 155512683
1-[(E)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole
CID 155524075
1-[(E)-2,3-diphenylprop-2-enyl]triazole
CID 155524316
1-[(Z)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole
CID 155533109
1-[(E)-2-(4-bromophenyl)-3-phenylprop-2-enyl]triazole
CID 155559106
1-(2,3-Diphenylpropyl)triazole
CID 155562191
1-Benzyl-4-bromo-1h-1,2,3-triazole
CID 13973357
1-Benzyl-4-(4-bromophenyl)triazole
CID 49837516
1-(2-phenylethyl)-1H-1,2,3-triazole
CID 10583354
1-(4-Bromobenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612075
1-(4-Bromobenzyl)-1H-1,2,3-triazole
CID 44632225
1-[(4-Bromophenyl)methyl]-5-phenyltriazole
CID 14612088

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole?
The IUPAC name of 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole (CID 155522275) is 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole.
What is the SMILES notation for 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole?
The canonical SMILES for 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole is Brc1ccc(/C=C(\Cn2ccnn2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole?
The InChIKey is QMYCFUVDQQINKF-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H13Br2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11+.
What are the key properties of 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole?
1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole has a molecular weight of 419.12 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,3-bis(4-bromophenyl)prop-2-enyl]triazole is sourced from PubChem (CID 155522275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).