(4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane

C19H15BiN2O5 — CID 177435465

IUPAC(4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane
SMILESCOc1ccc([Bi](c2ccccc2[N+](=O)[O-])c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C7H7O.2C6H4NO2.Bi/c1-8-7-5-3-2-4-6-7;2*8-7(9)6-4-2-1-3-5-6;/h3-6H,1H3;2*1-4H;
InChIKeyCDJXQFFUZULLKK-UHFFFAOYSA-N
MW560.32 g/mol
LogP2.03
Rot. Bonds6

About (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane

(4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane (PubChem CID 177435465) has the molecular formula C19H15BiN2O5 and a molecular weight of 560.32 g/mol. Its IUPAC name is (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane.

Molecular Properties

Compound Name(4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane
PubChem CID177435465
Molecular FormulaC19H15BiN2O5
Molecular Weight560.32 g/mol
Exact Mass560.08
IUPAC Name(4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane
SMILESCOc1ccc([Bi](c2ccccc2[N+](=O)[O-])c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C7H7O.2C6H4NO2.Bi/c1-8-7-5-3-2-4-6-7;2*8-7(9)6-4-2-1-3-5-6;/h3-6H,1H3;2*1-4H;
InChIKeyCDJXQFFUZULLKK-UHFFFAOYSA-N
XLogP2.03
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane?
The IUPAC name of (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane (CID 177435465) is (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane.
What is the SMILES notation for (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane?
The canonical SMILES for (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane is COc1ccc([Bi](c2ccccc2[N+](=O)[O-])c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane?
The InChIKey is CDJXQFFUZULLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.2C6H4NO2.Bi/c1-8-7-5-3-2-4-6-7;2*8-7(9)6-4-2-1-3-5-6;/h3-6H,1H3;2*1-4H;.
What are the key properties of (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane?
(4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane has a molecular weight of 560.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-bis(2-nitrophenyl)bismuthane is sourced from PubChem (CID 177435465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).