About [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride (PubChem CID 87500510) has the molecular formula C30H28Cl2NTi
and a molecular weight of 521.33 g/mol. Its IUPAC name is [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride.
Molecular Properties
| Compound Name | [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride |
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| PubChem CID | 87500510 |
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| Molecular Formula | C30H28Cl2NTi |
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| Molecular Weight | 521.33 g/mol |
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| Exact Mass | 520.11 |
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| IUPAC Name | [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride |
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| SMILES | CC1=Cc2ccccc2C1c1ccc2ccccc2c1C[N-]c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Ti+3] |
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| InChI | InChI=1S/C30H28N.2ClH.Ti/c1-19-15-21(3)30(22(4)16-19)31-18-28-25-11-7-5-9-23(25)13-14-27(28)29-20(2)17-24-10-6-8-12-26(24)29;;;/h5-17,29H,18H2,1-4H3;2*1H;/q-1;;;+3/p-2 |
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| InChIKey | PAKZJFUIGCGBGC-UHFFFAOYSA-L |
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| XLogP | 2.52 |
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| TPSA | 14.10 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 521.33 |
| LogP ≤ 5 | 2.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
The IUPAC name of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride (CID 87500510) is [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride.
What is the SMILES notation for [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
The canonical SMILES for [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride is CC1=Cc2ccccc2C1c1ccc2ccccc2c1C[N-]c1c(C)cc(C)cc1C.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
The InChIKey is PAKZJFUIGCGBGC-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H28N.2ClH.Ti/c1-19-15-21(3)30(22(4)16-19)31-18-28-25-11-7-5-9-23(25)13-14-27(28)29-20(2)17-24-10-6-8-12-26(24)29;;;/h5-17,29H,18H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride?
[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride has a molecular weight of 521.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride is sourced from PubChem (CID 87500510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).