N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine

C23H26BiN — CID 22382336

IUPACN-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(C)ccc1[Bi](c1ccccc1)c1ccccc1
InChIInChI=1S/C11H16N.2C6H5.Bi/c1-4-12(3)9-11-7-5-6-10(2)8-11;2*1-2-4-6-5-3-1;/h5-6,8H,4,9H2,1-3H3;2*1-5H;
InChIKeyJLSGLTBPDJIWIN-UHFFFAOYSA-N
MW525.45 g/mol
LogP2.96
Rot. Bonds6

About N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine

N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine (PubChem CID 22382336) has the molecular formula C23H26BiN and a molecular weight of 525.45 g/mol. Its IUPAC name is N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine
PubChem CID22382336
Molecular FormulaC23H26BiN
Molecular Weight525.45 g/mol
Exact Mass525.19
IUPAC NameN-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cc(C)ccc1[Bi](c1ccccc1)c1ccccc1
InChIInChI=1S/C11H16N.2C6H5.Bi/c1-4-12(3)9-11-7-5-6-10(2)8-11;2*1-2-4-6-5-3-1;/h5-6,8H,4,9H2,1-3H3;2*1-5H;
InChIKeyJLSGLTBPDJIWIN-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine (CID 22382336) is N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine is CCN(C)Cc1cc(C)ccc1[Bi](c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine?
The InChIKey is JLSGLTBPDJIWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.2C6H5.Bi/c1-4-12(3)9-11-7-5-6-10(2)8-11;2*1-2-4-6-5-3-1;/h5-6,8H,4,9H2,1-3H3;2*1-5H;.
What are the key properties of N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine?
N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine has a molecular weight of 525.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-diphenylbismuthanyl-5-methylphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 22382336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).