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

C24H22Cl2NTi — CID 87499976

IUPAC1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
SMILESCC1=Cc2ccccc2C1c1ccccc1C(C)[N-]c1ccccc1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C24H22N.2ClH.Ti/c1-17-16-19-10-6-7-14-22(19)24(17)23-15-9-8-13-21(23)18(2)25-20-11-4-3-5-12-20;;;/h3-16,18,24H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyFXJRIGOQYAIDOX-UHFFFAOYSA-L
MW443.22 g/mol
LogP1.01
Rot. Bonds4

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

1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride (PubChem CID 87499976) has the molecular formula C24H22Cl2NTi and a molecular weight of 443.22 g/mol. Its IUPAC name is 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride.

Molecular Properties

Compound Name1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
PubChem CID87499976
Molecular FormulaC24H22Cl2NTi
Molecular Weight443.22 g/mol
Exact Mass442.06
IUPAC Name1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
SMILESCC1=Cc2ccccc2C1c1ccccc1C(C)[N-]c1ccccc1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C24H22N.2ClH.Ti/c1-17-16-19-10-6-7-14-22(19)24(17)23-15-9-8-13-21(23)18(2)25-20-11-4-3-5-12-20;;;/h3-16,18,24H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyFXJRIGOQYAIDOX-UHFFFAOYSA-L
XLogP1.01
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-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 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
The IUPAC name of 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride (CID 87499976) is 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride.
What is the SMILES notation for 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
The canonical SMILES for 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride is CC1=Cc2ccccc2C1c1ccccc1C(C)[N-]c1ccccc1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
The InChIKey is FXJRIGOQYAIDOX-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H22N.2ClH.Ti/c1-17-16-19-10-6-7-14-22(19)24(17)23-15-9-8-13-21(23)18(2)25-20-11-4-3-5-12-20;;;/h3-16,18,24H,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride?
1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride has a molecular weight of 443.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1H-inden-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride is sourced from PubChem (CID 87499976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).