bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane

C32H25BiCl2O — CID 134939230

IUPACbis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane
SMILESCCOc1ccc([Bi](c2cccc(-c3ccc(Cl)cc3)c2)c2cccc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/2C12H8Cl.C8H9O.Bi/c2*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-9-8-6-4-3-5-7-8;/h2*1-2,4-9H;4-7H,2H2,1H3;
InChIKeyDMKWLJASCATESX-UHFFFAOYSA-N
MW705.44 g/mol
LogP7.24
Rot. Bonds7

About bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane

bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane (PubChem CID 134939230) has the molecular formula C32H25BiCl2O and a molecular weight of 705.44 g/mol. Its IUPAC name is bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane.

Molecular Properties

Compound Namebis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane
PubChem CID134939230
Molecular FormulaC32H25BiCl2O
Molecular Weight705.44 g/mol
Exact Mass704.11
IUPAC Namebis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane
SMILESCCOc1ccc([Bi](c2cccc(-c3ccc(Cl)cc3)c2)c2cccc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/2C12H8Cl.C8H9O.Bi/c2*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-9-8-6-4-3-5-7-8;/h2*1-2,4-9H;4-7H,2H2,1H3;
InChIKeyDMKWLJASCATESX-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.44
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
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1-ethoxy-4-[3-[(E)-prop-1-enyl]phenyl]benzene
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4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
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1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
2-(4-ethoxyphenyl)-6-phenylthiopyrylium
CID 154276267
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
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1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
CID 59789051
1-ethoxy-4-phenylbenzene;phenol
CID 174652155

Frequently Asked Questions

What is the IUPAC name of bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane?
The IUPAC name of bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane (CID 134939230) is bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane.
What is the SMILES notation for bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane?
The canonical SMILES for bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane is CCOc1ccc([Bi](c2cccc(-c3ccc(Cl)cc3)c2)c2cccc(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane?
The InChIKey is DMKWLJASCATESX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8Cl.C8H9O.Bi/c2*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-9-8-6-4-3-5-7-8;/h2*1-2,4-9H;4-7H,2H2,1H3;.
What are the key properties of bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane?
bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane has a molecular weight of 705.44 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(4-chlorophenyl)phenyl]-(4-ethoxyphenyl)bismuthane is sourced from PubChem (CID 134939230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).