2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole

C21H28BrNSi2 — CID 134933047

IUPAC2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
SMILESC[Si]1(C)c2ccccc2[Si](C)(C)N1/C=C(\CCCBr)c1ccccc1
InChIInChI=1S/C21H28BrNSi2/c1-24(2)20-14-8-9-15-21(20)25(3,4)23(24)17-19(13-10-16-22)18-11-6-5-7-12-18/h5-9,11-12,14-15,17H,10,13,16H2,1-4H3/b19-17+
InChIKeyZZRMVOLOLAUFSH-HTXNQAPBSA-N
MW430.54 g/mol
LogP5.04
Rot. Bonds5

About 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole

2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole (PubChem CID 134933047) has the molecular formula C21H28BrNSi2 and a molecular weight of 430.54 g/mol. Its IUPAC name is 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole.

Molecular Properties

Compound Name2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
PubChem CID134933047
Molecular FormulaC21H28BrNSi2
Molecular Weight430.54 g/mol
Exact Mass429.09
IUPAC Name2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
SMILESC[Si]1(C)c2ccccc2[Si](C)(C)N1/C=C(\CCCBr)c1ccccc1
InChIInChI=1S/C21H28BrNSi2/c1-24(2)20-14-8-9-15-21(20)25(3,4)23(24)17-19(13-10-16-22)18-11-6-5-7-12-18/h5-9,11-12,14-15,17H,10,13,16H2,1-4H3/b19-17+
InChIKeyZZRMVOLOLAUFSH-HTXNQAPBSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole with MolForge

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

Launch Full Analysis

Related Compounds

1,1,3,3-tetramethyl-2-[(E)-2-phenylethenyl]-2,1,3-benzazadisilole
CID 12736307
2-[(Z)-5-bromo-2-methylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
CID 134932133
2-[(Z)-2-(4-bromophenyl)prop-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
CID 134932134
2-[(Z)-2-chloro-2-phenylethenyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
CID 134932499
1,1,3,3-tetramethyl-2-[(Z)-3-phenylprop-1-enyl]-2,1,3-benzazadisilole
CID 134932623
1,1,3,3-tetramethyl-2-[(Z)-2-phenylprop-1-enyl]-2,1,3-benzazadisilole
CID 134932737
2-[(Z)-2-(4-bromophenyl)-2-phenylethenyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole
CID 134933048
1,1,3,3-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-2,1,3-benzazadisilole
CID 134933436

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
The IUPAC name of 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole (CID 134933047) is 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole.
What is the SMILES notation for 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
The canonical SMILES for 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole is C[Si]1(C)c2ccccc2[Si](C)(C)N1/C=C(\CCCBr)c1ccccc1.
What is the InChIKey of 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
The InChIKey is ZZRMVOLOLAUFSH-HTXNQAPBSA-N. The full InChI is InChI=1S/C21H28BrNSi2/c1-24(2)20-14-8-9-15-21(20)25(3,4)23(24)17-19(13-10-16-22)18-11-6-5-7-12-18/h5-9,11-12,14-15,17H,10,13,16H2,1-4H3/b19-17+.
What are the key properties of 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole?
2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole has a molecular weight of 430.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-bromo-2-phenylpent-1-enyl]-1,1,3,3-tetramethyl-2,1,3-benzazadisilole is sourced from PubChem (CID 134933047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).