chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)

C27H42ClN2Ti2+3 — CID 23230339

IUPACchlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)
SMILESC1CCCC1.C1CCCC1.C1CCCC1.Cl[Ti+3].[NH-]c1ccccc1.[NH-]c1ccccc1.[Ti+2]
InChIInChI=1S/2C6H6N.3C5H10.ClH.2Ti/c2*7-6-4-2-1-3-5-6;3*1-2-4-5-3-1;;;/h2*1-5,7H;3*1-5H2;1H;;/q2*-1;;;;;+2;+4/p-1
InChIKeyFTLSHLIAKBWBOQ-UHFFFAOYSA-M
MW525.83 g/mol
LogP11.28
Rot. Bonds

About chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)

chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+) (PubChem CID 23230339) has the molecular formula C27H42ClN2Ti2+3 and a molecular weight of 525.83 g/mol. Its IUPAC name is chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+).

Molecular Properties

Compound Namechlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)
PubChem CID23230339
Molecular FormulaC27H42ClN2Ti2+3
Molecular Weight525.83 g/mol
Exact Mass525.20
IUPAC Namechlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)
SMILESC1CCCC1.C1CCCC1.C1CCCC1.Cl[Ti+3].[NH-]c1ccccc1.[NH-]c1ccccc1.[Ti+2]
InChIInChI=1S/2C6H6N.3C5H10.ClH.2Ti/c2*7-6-4-2-1-3-5-6;3*1-2-4-5-3-1;;;/h2*1-5,7H;3*1-5H2;1H;;/q2*-1;;;;;+2;+4/p-1
InChIKeyFTLSHLIAKBWBOQ-UHFFFAOYSA-M
XLogP11.28
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.83
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+) 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 chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)?
The IUPAC name of chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+) (CID 23230339) is chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+).
What is the SMILES notation for chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)?
The canonical SMILES for chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+) is C1CCCC1.C1CCCC1.C1CCCC1.Cl[Ti+3].[NH-]c1ccccc1.[NH-]c1ccccc1.[Ti+2].
What is the InChIKey of chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)?
The InChIKey is FTLSHLIAKBWBOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H6N.3C5H10.ClH.2Ti/c2*7-6-4-2-1-3-5-6;3*1-2-4-5-3-1;;;/h2*1-5,7H;3*1-5H2;1H;;/q2*-1;;;;;+2;+4/p-1.
What are the key properties of chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+)?
chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+) has a molecular weight of 525.83 g/mol, XLogP of 11.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(3+);tris(cyclopentane);phenylazanide;titanium(2+) is sourced from PubChem (CID 23230339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).