2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane

C17H13Cl2ISi — CID 135028170

IUPAC2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1I)-c1c-2ccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2ISi/c1-21(2,3)9-8-10-4-5-12-11-6-7-13(18)16(19)14(11)15(12)17(10)20/h4-7H,1-3H3
InChIKeyQGDMKMQVOIYVQS-UHFFFAOYSA-N
MW443.19 g/mol
LogP6.47
Rot. Bonds

About 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane

2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane (PubChem CID 135028170) has the molecular formula C17H13Cl2ISi and a molecular weight of 443.19 g/mol. Its IUPAC name is 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane
PubChem CID135028170
Molecular FormulaC17H13Cl2ISi
Molecular Weight443.19 g/mol
Exact Mass441.92
IUPAC Name2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1I)-c1c-2ccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2ISi/c1-21(2,3)9-8-10-4-5-12-11-6-7-13(18)16(19)14(11)15(12)17(10)20/h4-7H,1-3H3
InChIKeyQGDMKMQVOIYVQS-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.19
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane (CID 135028170) is 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc2c(c1I)-c1c-2ccc(Cl)c1Cl.
What is the InChIKey of 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane?
The InChIKey is QGDMKMQVOIYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2ISi/c1-21(2,3)9-8-10-4-5-12-11-6-7-13(18)16(19)14(11)15(12)17(10)20/h4-7H,1-3H3.
What are the key properties of 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane?
2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane has a molecular weight of 443.19 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dichloro-1-iodobiphenylen-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 135028170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).