1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride

C22H19Cl2NTi-2 — CID 25200218

IUPAC1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride
SMILES[CH2-]c1ccccc1C1C=Cc2ccccc21.[Cl-].[Cl-].[NH-]c1ccccc1.[Ti+2]
InChIInChI=1S/C16H13.C6H6N.2ClH.Ti/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)16;7-6-4-2-1-3-5-6;;;/h2-11,16H,1H2;1-5,7H;2*1H;/q2*-1;;;+2/p-2
InChIKeyOMHZANZJWKBKKW-UHFFFAOYSA-L
MW416.17 g/mol
LogP0.40
Rot. Bonds1

About 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride

1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride (PubChem CID 25200218) has the molecular formula C22H19Cl2NTi-2 and a molecular weight of 416.17 g/mol. Its IUPAC name is 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride.

Molecular Properties

Compound Name1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride
PubChem CID25200218
Molecular FormulaC22H19Cl2NTi-2
Molecular Weight416.17 g/mol
Exact Mass415.04
IUPAC Name1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride
SMILES[CH2-]c1ccccc1C1C=Cc2ccccc21.[Cl-].[Cl-].[NH-]c1ccccc1.[Ti+2]
InChIInChI=1S/C16H13.C6H6N.2ClH.Ti/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)16;7-6-4-2-1-3-5-6;;;/h2-11,16H,1H2;1-5,7H;2*1H;/q2*-1;;;+2/p-2
InChIKeyOMHZANZJWKBKKW-UHFFFAOYSA-L
XLogP0.40
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride?
The IUPAC name of 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride (CID 25200218) is 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride.
What is the SMILES notation for 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride?
The canonical SMILES for 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride is [CH2-]c1ccccc1C1C=Cc2ccccc21.[Cl-].[Cl-].[NH-]c1ccccc1.[Ti+2].
What is the InChIKey of 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride?
The InChIKey is OMHZANZJWKBKKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.C6H6N.2ClH.Ti/c1-12-6-2-4-8-14(12)16-11-10-13-7-3-5-9-15(13)16;7-6-4-2-1-3-5-6;;;/h2-11,16H,1H2;1-5,7H;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride?
1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride has a molecular weight of 416.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methanidylphenyl)-1H-indene;phenylazanide;titanium(2+);dichloride is sourced from PubChem (CID 25200218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).