2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane

C48H56Br4Si2 — CID 11240132

About 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane

2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane (PubChem CID 11240132) has the molecular formula C48H56Br4Si2 and a molecular weight of 1008.76 g/mol. Its IUPAC name is 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane
• PubChem CID: 11240132
• Molecular Formula: C48H56Br4Si2
• Molecular Weight: 1008.76 g/mol
• Exact Mass: 1004.07
• IUPAC Name: 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane
• SMILES: Cc1cc(C(C)(C)C)cc(C)c1/C(=C(/c1c(C)cc(C(C)(C)C)cc1C)c1c(Br)cc(C#C[Si](C)(C)C)cc1Br)c1c(Br)cc(C#C[Si](C)(C)C)cc1Br
• InChI: InChI=1S/C48H56Br4Si2/c1-29-21-35(47(5,6)7)22-30(2)41(29)45(43-37(49)25-33(26-38(43)50)17-19-53(11,12)13)46(42-31(3)23-36(24-32(42)4)48(8,9)10)44-39(51)27-34(28-40(44)52)18-20-54(14,15)16/h21-28H,1-16H3/b46-45+
• InChIKey: HEPNDWLMZFNLKL-XVIFHXHVSA-N
• XLogP: 16.03
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.76
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane?

The IUPAC name of 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane (CID 11240132) is 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane.

What is the SMILES notation for 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane?

The canonical SMILES for 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane is Cc1cc(C(C)(C)C)cc(C)c1/C(=C(/c1c(C)cc(C(C)(C)C)cc1C)c1c(Br)cc(C#C[Si](C)(C)C)cc1Br)c1c(Br)cc(C#C[Si](C)(C)C)cc1Br.

What is the InChIKey of 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane?

The InChIKey is HEPNDWLMZFNLKL-XVIFHXHVSA-N. The full InChI is InChI=1S/C48H56Br4Si2/c1-29-21-35(47(5,6)7)22-30(2)41(29)45(43-37(49)25-33(26-38(43)50)17-19-53(11,12)13)46(42-31(3)23-36(24-32(42)4)48(8,9)10)44-39(51)27-34(28-40(44)52)18-20-54(14,15)16/h21-28H,1-16H3/b46-45+.

What are the key properties of 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane?

2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane has a molecular weight of 1008.76 g/mol, XLogP of 16.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(E)-1,2-bis(4-tert-butyl-2,6-dimethylphenyl)-2-[2,6-dibromo-4-(2-trimethylsilylethynyl)phenyl]ethenyl]-3,5-dibromophenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 11240132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).