1-methyl-3-(1-methylindol-3-yl)selanylindole

C18H16N2Se — CID 621312

IUPAC1-methyl-3-(1-methylindol-3-yl)selanylindole
SMILESCn1cc([Se]c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C18H16N2Se/c1-19-11-17(13-7-3-5-9-15(13)19)21-18-12-20(2)16-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeySEPFBPXQVUBMKN-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.33
Rot. Bonds2

About 1-methyl-3-(1-methylindol-3-yl)selanylindole

1-methyl-3-(1-methylindol-3-yl)selanylindole (PubChem CID 621312) has the molecular formula C18H16N2Se and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-methyl-3-(1-methylindol-3-yl)selanylindole.

Molecular Properties

Compound Name1-methyl-3-(1-methylindol-3-yl)selanylindole
PubChem CID621312
Molecular FormulaC18H16N2Se
Molecular Weight339.30 g/mol
Exact Mass340.05
IUPAC Name1-methyl-3-(1-methylindol-3-yl)selanylindole
SMILESCn1cc([Se]c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C18H16N2Se/c1-19-11-17(13-7-3-5-9-15(13)19)21-18-12-20(2)16-10-6-4-8-14(16)18/h3-12H,1-2H3
InChIKeySEPFBPXQVUBMKN-UHFFFAOYSA-N
XLogP2.33
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
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3-bromo-1-methylindole
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1-methyl-3-propan-2-ylindole
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3-(1-chloroethyl)-1-methylindole
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3-bromo-1-methylquinolin-4-one
CID 23279589
CID 58652160
CID 58652160
3-(1-bromoethyl)-1-methylindole
CID 174852068
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
2-(1-methylindol-3-yl)phenol
CID 154709769
1-methyl-3-(4-methylphenyl)indole
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(1-methylindol-3-yl)-triphenylsilane
CID 139125439

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylindol-3-yl)selanylindole?
The IUPAC name of 1-methyl-3-(1-methylindol-3-yl)selanylindole (CID 621312) is 1-methyl-3-(1-methylindol-3-yl)selanylindole.
What is the SMILES notation for 1-methyl-3-(1-methylindol-3-yl)selanylindole?
The canonical SMILES for 1-methyl-3-(1-methylindol-3-yl)selanylindole is Cn1cc([Se]c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-methyl-3-(1-methylindol-3-yl)selanylindole?
The InChIKey is SEPFBPXQVUBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2Se/c1-19-11-17(13-7-3-5-9-15(13)19)21-18-12-20(2)16-10-6-4-8-14(16)18/h3-12H,1-2H3.
What are the key properties of 1-methyl-3-(1-methylindol-3-yl)selanylindole?
1-methyl-3-(1-methylindol-3-yl)selanylindole has a molecular weight of 339.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylindol-3-yl)selanylindole is sourced from PubChem (CID 621312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).