(2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine

C24H30BiN — CID 22382334

IUPAC(2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine
SMILESCCNCC.Cc1ccc([Bi](c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C8H9.2C6H5.C4H11N.Bi/c1-7-4-3-5-8(2)6-7;2*1-2-4-6-5-3-1;1-3-5-4-2;/h3-4,6H,1-2H3;2*1-5H;5H,3-4H2,1-2H3;
InChIKeyKPRSXVSWGZREMO-UHFFFAOYSA-N
MW541.49 g/mol
LogP3.44
Rot. Bonds5

About (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine

(2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine (PubChem CID 22382334) has the molecular formula C24H30BiN and a molecular weight of 541.49 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine
PubChem CID22382334
Molecular FormulaC24H30BiN
Molecular Weight541.49 g/mol
Exact Mass541.22
IUPAC Name(2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine
SMILESCCNCC.Cc1ccc([Bi](c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C8H9.2C6H5.C4H11N.Bi/c1-7-4-3-5-8(2)6-7;2*1-2-4-6-5-3-1;1-3-5-4-2;/h3-4,6H,1-2H3;2*1-5H;5H,3-4H2,1-2H3;
InChIKeyKPRSXVSWGZREMO-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine?
The IUPAC name of (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine (CID 22382334) is (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine?
The canonical SMILES for (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine is CCNCC.Cc1ccc([Bi](c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine?
The InChIKey is KPRSXVSWGZREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.2C6H5.C4H11N.Bi/c1-7-4-3-5-8(2)6-7;2*1-2-4-6-5-3-1;1-3-5-4-2;/h3-4,6H,1-2H3;2*1-5H;5H,3-4H2,1-2H3;.
What are the key properties of (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine?
(2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine has a molecular weight of 541.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-diphenylbismuthane;N-ethylethanamine is sourced from PubChem (CID 22382334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).