[3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane

C36H38Br2Si4 — CID 177493023

IUPAC[3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane
SMILESC[Si](C)(C#Cc1ccccc1)c1cc2c(cc1Br)[Si](C)(C)c1cc([Si](C)(C)C#Cc3ccccc3)c(Br)cc1[Si]2(C)C
InChIInChI=1S/C36H38Br2Si4/c1-39(2,21-19-27-15-11-9-12-16-27)31-25-35-33(23-29(31)37)42(7,8)36-26-32(30(38)24-34(36)41(35,5)6)40(3,4)22-20-28-17-13-10-14-18-28/h9-18,23-26H,1-8H3
InChIKeyDOUYPXBRQVSVCN-UHFFFAOYSA-N
MW742.85 g/mol
LogP6.18
Rot. Bonds2

About [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane

[3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane (PubChem CID 177493023) has the molecular formula C36H38Br2Si4 and a molecular weight of 742.85 g/mol. Its IUPAC name is [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane.

Molecular Properties

Compound Name[3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane
PubChem CID177493023
Molecular FormulaC36H38Br2Si4
Molecular Weight742.85 g/mol
Exact Mass740.04
IUPAC Name[3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane
SMILESC[Si](C)(C#Cc1ccccc1)c1cc2c(cc1Br)[Si](C)(C)c1cc([Si](C)(C)C#Cc3ccccc3)c(Br)cc1[Si]2(C)C
InChIInChI=1S/C36H38Br2Si4/c1-39(2,21-19-27-15-11-9-12-16-27)31-25-35-33(23-29(31)37)42(7,8)36-26-32(30(38)24-34(36)41(35,5)6)40(3,4)22-20-28-17-13-10-14-18-28/h9-18,23-26H,1-8H3
InChIKeyDOUYPXBRQVSVCN-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.85
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane?
The IUPAC name of [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane (CID 177493023) is [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane.
What is the SMILES notation for [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane?
The canonical SMILES for [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane is C[Si](C)(C#Cc1ccccc1)c1cc2c(cc1Br)[Si](C)(C)c1cc([Si](C)(C)C#Cc3ccccc3)c(Br)cc1[Si]2(C)C.
What is the InChIKey of [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane?
The InChIKey is DOUYPXBRQVSVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Br2Si4/c1-39(2,21-19-27-15-11-9-12-16-27)31-25-35-33(23-29(31)37)42(7,8)36-26-32(30(38)24-34(36)41(35,5)6)40(3,4)22-20-28-17-13-10-14-18-28/h9-18,23-26H,1-8H3.
What are the key properties of [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane?
[3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane has a molecular weight of 742.85 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,8-dibromo-7-[dimethyl(2-phenylethynyl)silyl]-5,5,10,10-tetramethylsilanthren-2-yl]-dimethyl-(2-phenylethynyl)silane is sourced from PubChem (CID 177493023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).