CID 157171964

C15H20BCl3IrN2Si — CID 157171964

IUPAC—
SMILESCc1ccc(-c2ccc([Si](C)(C)C)cn2)c(C)n1.Cl[Ir](Cl)Cl.[B]
InChIInChI=1S/C15H20N2Si.B.3ClH.Ir/c1-11-6-8-14(12(2)17-11)15-9-7-13(10-16-15)18(3,4)5;;;;;/h6-10H,1-5H3;;3*1H;/q;;;;;+3/p-3
InChIKeyYECJAMJPZAZDCF-UHFFFAOYSA-K
MW565.81 g/mol
LogP4.99
Rot. Bonds2

About CID 157171964

CID 157171964 (PubChem CID 157171964) has the molecular formula C15H20BCl3IrN2Si and a molecular weight of 565.81 g/mol.

Molecular Properties

Compound NameCID 157171964
PubChem CID157171964
Molecular FormulaC15H20BCl3IrN2Si
Molecular Weight565.81 g/mol
Exact Mass565.02
IUPAC Name—
SMILESCc1ccc(-c2ccc([Si](C)(C)C)cn2)c(C)n1.Cl[Ir](Cl)Cl.[B]
InChIInChI=1S/C15H20N2Si.B.3ClH.Ir/c1-11-6-8-14(12(2)17-11)15-9-7-13(10-16-15)18(3,4)5;;;;;/h6-10H,1-5H3;;3*1H;/q;;;;;+3/p-3
InChIKeyYECJAMJPZAZDCF-UHFFFAOYSA-K
XLogP4.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.81
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157171964?
The IUPAC name of CID 157171964 (CID 157171964) is not available.
What is the SMILES notation for CID 157171964?
The canonical SMILES for CID 157171964 is Cc1ccc(-c2ccc([Si](C)(C)C)cn2)c(C)n1.Cl[Ir](Cl)Cl.[B].
What is the InChIKey of CID 157171964?
The InChIKey is YECJAMJPZAZDCF-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H20N2Si.B.3ClH.Ir/c1-11-6-8-14(12(2)17-11)15-9-7-13(10-16-15)18(3,4)5;;;;;/h6-10H,1-5H3;;3*1H;/q;;;;;+3/p-3.
What are the key properties of CID 157171964?
CID 157171964 has a molecular weight of 565.81 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157171964 is sourced from PubChem (CID 157171964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).