[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride

C26H20Cl2NTi — CID 87568061

IUPAC[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride
SMILES[Cl-].[Cl-].[Ti+3].c1ccc([N-]Cc2ccccc2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C26H20N.2ClH.Ti/c1-2-11-21(12-3-1)27-18-20-10-5-7-14-23(20)25-16-8-15-24-22-13-6-4-9-19(22)17-26(24)25;;;/h1-16H,17-18H2;2*1H;/q-1;;;+3/p-2
InChIKeyNGDXQIBIWJXGIP-UHFFFAOYSA-L
MW465.23 g/mol
LogP1.14
Rot. Bonds4

About [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride

[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride (PubChem CID 87568061) has the molecular formula C26H20Cl2NTi and a molecular weight of 465.23 g/mol. Its IUPAC name is [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride.

Molecular Properties

Compound Name[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride
PubChem CID87568061
Molecular FormulaC26H20Cl2NTi
Molecular Weight465.23 g/mol
Exact Mass464.05
IUPAC Name[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride
SMILES[Cl-].[Cl-].[Ti+3].c1ccc([N-]Cc2ccccc2-c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C26H20N.2ClH.Ti/c1-2-11-21(12-3-1)27-18-20-10-5-7-14-23(20)25-16-8-15-24-22-13-6-4-9-19(22)17-26(24)25;;;/h1-16H,17-18H2;2*1H;/q-1;;;+3/p-2
InChIKeyNGDXQIBIWJXGIP-UHFFFAOYSA-L
XLogP1.14
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride 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 [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride?
The IUPAC name of [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride (CID 87568061) is [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride.
What is the SMILES notation for [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride?
The canonical SMILES for [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride is [Cl-].[Cl-].[Ti+3].c1ccc([N-]Cc2ccccc2-c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride?
The InChIKey is NGDXQIBIWJXGIP-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H20N.2ClH.Ti/c1-2-11-21(12-3-1)27-18-20-10-5-7-14-23(20)25-16-8-15-24-22-13-6-4-9-19(22)17-26(24)25;;;/h1-16H,17-18H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride?
[2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride has a molecular weight of 465.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-1-yl)phenyl]methyl-phenylazanide;titanium(3+);dichloride is sourced from PubChem (CID 87568061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).