(2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine

C23H20BrN — CID 20837591

IUPAC(2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
SMILES[H]/N=C(/c1ccccc1Br)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C23H20BrN/c24-22-4-2-1-3-20(22)23(25)21-15-18-10-9-16-5-7-17(8-6-16)11-13-19(21)14-12-18/h1-8,12,14-15,25H,9-11,13H2/b25-23-
InChIKeyZWKOAWYOZAZPOE-BZZOAKBMSA-N
MW390.32 g/mol
LogP5.75
Rot. Bonds2

About (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine

(2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine (PubChem CID 20837591) has the molecular formula C23H20BrN and a molecular weight of 390.32 g/mol. Its IUPAC name is (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine.

Molecular Properties

Compound Name(2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
PubChem CID20837591
Molecular FormulaC23H20BrN
Molecular Weight390.32 g/mol
Exact Mass389.08
IUPAC Name(2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine
SMILES[H]/N=C(/c1ccccc1Br)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C23H20BrN/c24-22-4-2-1-3-20(22)23(25)21-15-18-10-9-16-5-7-17(8-6-16)11-13-19(21)14-12-18/h1-8,12,14-15,25H,9-11,13H2/b25-23-
InChIKeyZWKOAWYOZAZPOE-BZZOAKBMSA-N
XLogP5.75
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
The IUPAC name of (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine (CID 20837591) is (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine.
What is the SMILES notation for (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
The canonical SMILES for (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine is [H]/N=C(/c1ccccc1Br)c1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
The InChIKey is ZWKOAWYOZAZPOE-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H20BrN/c24-22-4-2-1-3-20(22)23(25)21-15-18-10-9-16-5-7-17(8-6-16)11-13-19(21)14-12-18/h1-8,12,14-15,25H,9-11,13H2/b25-23-.
What are the key properties of (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine?
(2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine has a molecular weight of 390.32 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)methanimine is sourced from PubChem (CID 20837591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).