tris(1-methylindol-6-yl)bismuthane

C27H24BiN3 — CID 18965679

IUPACtris(1-methylindol-6-yl)bismuthane
SMILESCn1ccc2ccc([Bi](c3ccc4ccn(C)c4c3)c3ccc4ccn(C)c4c3)cc21
InChIInChI=1S/3C9H8N.Bi/c3*1-10-7-6-8-4-2-3-5-9(8)10;/h3*2,4-7H,1H3;
InChIKeyNUUTZGRWUXTBJT-UHFFFAOYSA-N
MW599.49 g/mol
LogP3.68
Rot. Bonds3

About tris(1-methylindol-6-yl)bismuthane

tris(1-methylindol-6-yl)bismuthane (PubChem CID 18965679) has the molecular formula C27H24BiN3 and a molecular weight of 599.49 g/mol. Its IUPAC name is tris(1-methylindol-6-yl)bismuthane.

Molecular Properties

Compound Nametris(1-methylindol-6-yl)bismuthane
PubChem CID18965679
Molecular FormulaC27H24BiN3
Molecular Weight599.49 g/mol
Exact Mass599.18
IUPAC Nametris(1-methylindol-6-yl)bismuthane
SMILESCn1ccc2ccc([Bi](c3ccc4ccn(C)c4c3)c3ccc4ccn(C)c4c3)cc21
InChIInChI=1S/3C9H8N.Bi/c3*1-10-7-6-8-4-2-3-5-9(8)10;/h3*2,4-7H,1H3;
InChIKeyNUUTZGRWUXTBJT-UHFFFAOYSA-N
XLogP3.68
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tris(1-methylindol-6-yl)bismuthane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(1-methylindol-6-yl)bismuthane?
The IUPAC name of tris(1-methylindol-6-yl)bismuthane (CID 18965679) is tris(1-methylindol-6-yl)bismuthane.
What is the SMILES notation for tris(1-methylindol-6-yl)bismuthane?
The canonical SMILES for tris(1-methylindol-6-yl)bismuthane is Cn1ccc2ccc([Bi](c3ccc4ccn(C)c4c3)c3ccc4ccn(C)c4c3)cc21.
What is the InChIKey of tris(1-methylindol-6-yl)bismuthane?
The InChIKey is NUUTZGRWUXTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8N.Bi/c3*1-10-7-6-8-4-2-3-5-9(8)10;/h3*2,4-7H,1H3;.
What are the key properties of tris(1-methylindol-6-yl)bismuthane?
tris(1-methylindol-6-yl)bismuthane has a molecular weight of 599.49 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methylindol-6-yl)bismuthane is sourced from PubChem (CID 18965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).