carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate

C69H64Br6INO4Si3 — CID 161364634

About carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate

carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate (PubChem CID 161364634) has the molecular formula C69H64Br6INO4Si3 and a molecular weight of 1661.86 g/mol. Its IUPAC name is carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate.

Molecular Properties

• Compound Name: carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate
• PubChem CID: 161364634
• Molecular Formula: C69H64Br6INO4Si3
• Molecular Weight: 1661.86 g/mol
• Exact Mass: 1654.83
• IUPAC Name: carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate
• SMILES: Brc1cc(Br)cc(I)c1.C#Cc1cc(Br)cc(Br)c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(C#Cc2cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c2)cc1.C[Si](C)(C)C#Cc1cc(Br)cc(Br)c1.O=C=O
• InChI: InChI=1S/C43H45NO2Si2.C11H12Br2Si.C8H4Br2.C6H3Br2I.CO2/c1-9-11-33-16-20-41-39(30-33)40-31-37(43(45)46-24-10-2)17-21-42(40)44(41)38-18-14-32(15-19-38)12-13-34-27-35(22-25-47(3,4)5)29-36(28-34)23-26-48(6,7)8;1-14(2,3)5-4-9-6-10(12)8-11(13)7-9;1-2-6-3-7(9)5-8(10)4-6;7-4-1-5(8)3-6(9)2-4;2-1-3/h14-21,27-31H,9-11,24H2,1-8H3;6-8H,1-3H3;1,3-5H;1-3H
• InChIKey: VPQPPZISMLDDQS-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 65.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1661.86
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate?

The IUPAC name of carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate (CID 161364634) is carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate.

What is the SMILES notation for carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate?

The canonical SMILES for carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate is Brc1cc(Br)cc(I)c1.C#Cc1cc(Br)cc(Br)c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(C#Cc2cc(C#C[Si](C)(C)C)cc(C#C[Si](C)(C)C)c2)cc1.C[Si](C)(C)C#Cc1cc(Br)cc(Br)c1.O=C=O.

What is the InChIKey of carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate?

The InChIKey is VPQPPZISMLDDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45NO2Si2.C11H12Br2Si.C8H4Br2.C6H3Br2I.CO2/c1-9-11-33-16-20-41-39(30-33)40-31-37(43(45)46-24-10-2)17-21-42(40)44(41)38-18-14-32(15-19-38)12-13-34-27-35(22-25-47(3,4)5)29-36(28-34)23-26-48(6,7)8;1-14(2,3)5-4-9-6-10(12)8-11(13)7-9;1-2-6-3-7(9)5-8(10)4-6;7-4-1-5(8)3-6(9)2-4;2-1-3/h14-21,27-31H,9-11,24H2,1-8H3;6-8H,1-3H3;1,3-5H;1-3H;.

What are the key properties of carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate?

carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate has a molecular weight of 1661.86 g/mol, XLogP of 21.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate is sourced from PubChem (CID 161364634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).