cadmium(2+);bis(1-methyl-3H-indol-3-ide)

C18H16CdN2 — CID 15969809

IUPACcadmium(2+);bis(1-methyl-3H-indol-3-ide)
SMILESCn1c[c-]c2ccccc21.Cn1c[c-]c2ccccc21.[Cd+2]
InChIInChI=1S/2C9H8N.Cd/c2*1-10-7-6-8-4-2-3-5-9(8)10;/h2*2-5,7H,1H3;/q2*-1;+2
InChIKeyALUJTASGLNWUJL-UHFFFAOYSA-N
MW372.75 g/mol
LogP3.95
Rot. Bonds

About cadmium(2+);bis(1-methyl-3H-indol-3-ide)

cadmium(2+);bis(1-methyl-3H-indol-3-ide) (PubChem CID 15969809) has the molecular formula C18H16CdN2 and a molecular weight of 372.75 g/mol. Its IUPAC name is cadmium(2+);bis(1-methyl-3H-indol-3-ide).

Molecular Properties

Compound Namecadmium(2+);bis(1-methyl-3H-indol-3-ide)
PubChem CID15969809
Molecular FormulaC18H16CdN2
Molecular Weight372.75 g/mol
Exact Mass374.03
IUPAC Namecadmium(2+);bis(1-methyl-3H-indol-3-ide)
SMILESCn1c[c-]c2ccccc21.Cn1c[c-]c2ccccc21.[Cd+2]
InChIInChI=1S/2C9H8N.Cd/c2*1-10-7-6-8-4-2-3-5-9(8)10;/h2*2-5,7H,1H3;/q2*-1;+2
InChIKeyALUJTASGLNWUJL-UHFFFAOYSA-N
XLogP3.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.75
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-3H-indol-3-ide;ethane;tungsten
CID 159784775
7,8-dimethyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
CID 89317326
8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 59834052
1-[[6-(indazol-1-ylmethyl)-2-pyridinyl]methyl]indazole;1-[[6-(3H-indol-3-id-1-ylmethyl)-2-pyridinyl]methyl]-3H-indol-3-ide;iridium
CID 146965695
ethane;1-methylindole
CID 91600075
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-hydroxycarbazole
CID 153391260
ethane;9-methylcarbazole;triphenylene
CID 142356751
N-ethyl-1-methylpyrrol-2-amine
CID 18543127
1-methyl-3-(1-methylindol-3-yl)selanylindole
CID 621312
3-bromo-1-methylindole
CID 13357736
1-methyl-3-propan-2-ylindole
CID 10942942

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(1-methyl-3H-indol-3-ide)?
The IUPAC name of cadmium(2+);bis(1-methyl-3H-indol-3-ide) (CID 15969809) is cadmium(2+);bis(1-methyl-3H-indol-3-ide).
What is the SMILES notation for cadmium(2+);bis(1-methyl-3H-indol-3-ide)?
The canonical SMILES for cadmium(2+);bis(1-methyl-3H-indol-3-ide) is Cn1c[c-]c2ccccc21.Cn1c[c-]c2ccccc21.[Cd+2].
What is the InChIKey of cadmium(2+);bis(1-methyl-3H-indol-3-ide)?
The InChIKey is ALUJTASGLNWUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N.Cd/c2*1-10-7-6-8-4-2-3-5-9(8)10;/h2*2-5,7H,1H3;/q2*-1;+2.
What are the key properties of cadmium(2+);bis(1-methyl-3H-indol-3-ide)?
cadmium(2+);bis(1-methyl-3H-indol-3-ide) has a molecular weight of 372.75 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(1-methyl-3H-indol-3-ide) is sourced from PubChem (CID 15969809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).