bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)

C16H12N4Ti — CID 58250069

IUPACbis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)
SMILES[Ti+4].c1c[n-]c(-c2ccc[n-]2)c1.c1c[n-]c(-c2ccc[n-]2)c1
InChIInChI=1S/2C8H6N2.Ti/c2*1-3-7(9-5-1)8-4-2-6-10-8;/h2*1-6H;/q2*-2;+4
InChIKeyMVDLFUZAEIHGAX-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.53
Rot. Bonds2

About bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)

bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+) (PubChem CID 58250069) has the molecular formula C16H12N4Ti and a molecular weight of 308.17 g/mol. Its IUPAC name is bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+).

Molecular Properties

Compound Namebis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)
PubChem CID58250069
Molecular FormulaC16H12N4Ti
Molecular Weight308.17 g/mol
Exact Mass308.05
IUPAC Namebis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)
SMILES[Ti+4].c1c[n-]c(-c2ccc[n-]2)c1.c1c[n-]c(-c2ccc[n-]2)c1
InChIInChI=1S/2C8H6N2.Ti/c2*1-3-7(9-5-1)8-4-2-6-10-8;/h2*1-6H;/q2*-2;+4
InChIKeyMVDLFUZAEIHGAX-UHFFFAOYSA-N
XLogP2.53
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+) 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 bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)?
The IUPAC name of bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+) (CID 58250069) is bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+).
What is the SMILES notation for bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)?
The canonical SMILES for bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+) is [Ti+4].c1c[n-]c(-c2ccc[n-]2)c1.c1c[n-]c(-c2ccc[n-]2)c1.
What is the InChIKey of bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)?
The InChIKey is MVDLFUZAEIHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6N2.Ti/c2*1-3-7(9-5-1)8-4-2-6-10-8;/h2*1-6H;/q2*-2;+4.
What are the key properties of bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+)?
bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+) has a molecular weight of 308.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyrrol-1-id-2-ylpyrrol-1-ide);titanium(4+) is sourced from PubChem (CID 58250069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).