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

C24H22Cl2NTi — CID 87501421

IUPAC2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
SMILESCC(C)([N-]c1ccccc1)c1ccccc1C1C=Cc2ccccc21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C24H22N.2ClH.Ti/c1-24(2,25-19-11-4-3-5-12-19)23-15-9-8-14-22(23)21-17-16-18-10-6-7-13-20(18)21;;;/h3-17,21H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyLJMWWIHFSOXDMK-UHFFFAOYSA-L
MW443.22 g/mol
LogP0.79
Rot. Bonds4

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

2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride (PubChem CID 87501421) has the molecular formula C24H22Cl2NTi and a molecular weight of 443.22 g/mol. Its IUPAC name is 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride.

Molecular Properties

Compound Name2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
PubChem CID87501421
Molecular FormulaC24H22Cl2NTi
Molecular Weight443.22 g/mol
Exact Mass442.06
IUPAC Name2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
SMILESCC(C)([N-]c1ccccc1)c1ccccc1C1C=Cc2ccccc21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C24H22N.2ClH.Ti/c1-24(2,25-19-11-4-3-5-12-19)23-15-9-8-14-22(23)21-17-16-18-10-6-7-13-20(18)21;;;/h3-17,21H,1-2H3;2*1H;/q-1;;;+3/p-2
InChIKeyLJMWWIHFSOXDMK-UHFFFAOYSA-L
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride?
The IUPAC name of 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride (CID 87501421) is 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride.
What is the SMILES notation for 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride?
The canonical SMILES for 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride is CC(C)([N-]c1ccccc1)c1ccccc1C1C=Cc2ccccc21.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride?
The InChIKey is LJMWWIHFSOXDMK-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H22N.2ClH.Ti/c1-24(2,25-19-11-4-3-5-12-19)23-15-9-8-14-22(23)21-17-16-18-10-6-7-13-20(18)21;;;/h3-17,21H,1-2H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride?
2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride has a molecular weight of 443.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride is sourced from PubChem (CID 87501421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).