N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine

C16H23BiCl2N2 — CID 138973108

IUPACN-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine
SMILESCC(C)(C)/N=C/c1cccc(/C=N/C(C)(C)C)c1[Bi](Cl)Cl
InChIInChI=1S/C16H23N2.Bi.2ClH/c1-15(2,3)17-11-13-8-7-9-14(10-13)12-18-16(4,5)6;;;/h7-9,11-12H,1-6H3;;2*1H/q;+2;;/p-2/b17-11+,18-12+;;;
InChIKeyXMEPMPARQRMGKH-MCRPVJKSSA-L
MW523.26 g/mol
LogP4.29
Rot. Bonds3

About N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine

N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine (PubChem CID 138973108) has the molecular formula C16H23BiCl2N2 and a molecular weight of 523.26 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine
PubChem CID138973108
Molecular FormulaC16H23BiCl2N2
Molecular Weight523.26 g/mol
Exact Mass522.10
IUPAC NameN-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine
SMILESCC(C)(C)/N=C/c1cccc(/C=N/C(C)(C)C)c1[Bi](Cl)Cl
InChIInChI=1S/C16H23N2.Bi.2ClH/c1-15(2,3)17-11-13-8-7-9-14(10-13)12-18-16(4,5)6;;;/h7-9,11-12H,1-6H3;;2*1H/q;+2;;/p-2/b17-11+,18-12+;;;
InChIKeyXMEPMPARQRMGKH-MCRPVJKSSA-L
XLogP4.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.26
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine?
The IUPAC name of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine (CID 138973108) is N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine is CC(C)(C)/N=C/c1cccc(/C=N/C(C)(C)C)c1[Bi](Cl)Cl.
What is the InChIKey of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine?
The InChIKey is XMEPMPARQRMGKH-MCRPVJKSSA-L. The full InChI is InChI=1S/C16H23N2.Bi.2ClH/c1-15(2,3)17-11-13-8-7-9-14(10-13)12-18-16(4,5)6;;;/h7-9,11-12H,1-6H3;;2*1H/q;+2;;/p-2/b17-11+,18-12+;;;.
What are the key properties of N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine?
N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine has a molecular weight of 523.26 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[3-(tert-butyliminomethyl)-2-dichlorobismuthanylphenyl]methanimine is sourced from PubChem (CID 138973108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).