bis(4-chlorophenyl)-naphthalen-1-ylbismuthane

C22H15BiCl2 — CID 5081864

IUPACbis(4-chlorophenyl)-naphthalen-1-ylbismuthane
SMILESClc1ccc([Bi](c2ccc(Cl)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C10H7.2C6H4Cl.Bi/c1-2-6-10-8-4-3-7-9(10)5-1;2*7-6-4-2-1-3-5-6;/h1-7H;2*2-5H;
InChIKeyDGPBABOKNWBXOO-UHFFFAOYSA-N
MW559.25 g/mol
LogP4.66
Rot. Bonds3

About bis(4-chlorophenyl)-naphthalen-1-ylbismuthane

bis(4-chlorophenyl)-naphthalen-1-ylbismuthane (PubChem CID 5081864) has the molecular formula C22H15BiCl2 and a molecular weight of 559.25 g/mol. Its IUPAC name is bis(4-chlorophenyl)-naphthalen-1-ylbismuthane.

Molecular Properties

Compound Namebis(4-chlorophenyl)-naphthalen-1-ylbismuthane
PubChem CID5081864
Molecular FormulaC22H15BiCl2
Molecular Weight559.25 g/mol
Exact Mass558.04
IUPAC Namebis(4-chlorophenyl)-naphthalen-1-ylbismuthane
SMILESClc1ccc([Bi](c2ccc(Cl)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C10H7.2C6H4Cl.Bi/c1-2-6-10-8-4-3-7-9(10)5-1;2*7-6-4-2-1-3-5-6;/h1-7H;2*2-5H;
InChIKeyDGPBABOKNWBXOO-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.25
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-naphthalen-1-ylbismuthane?
The IUPAC name of bis(4-chlorophenyl)-naphthalen-1-ylbismuthane (CID 5081864) is bis(4-chlorophenyl)-naphthalen-1-ylbismuthane.
What is the SMILES notation for bis(4-chlorophenyl)-naphthalen-1-ylbismuthane?
The canonical SMILES for bis(4-chlorophenyl)-naphthalen-1-ylbismuthane is Clc1ccc([Bi](c2ccc(Cl)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of bis(4-chlorophenyl)-naphthalen-1-ylbismuthane?
The InChIKey is DGPBABOKNWBXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7.2C6H4Cl.Bi/c1-2-6-10-8-4-3-7-9(10)5-1;2*7-6-4-2-1-3-5-6;/h1-7H;2*2-5H;.
What are the key properties of bis(4-chlorophenyl)-naphthalen-1-ylbismuthane?
bis(4-chlorophenyl)-naphthalen-1-ylbismuthane has a molecular weight of 559.25 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-naphthalen-1-ylbismuthane is sourced from PubChem (CID 5081864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).