1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride

C24H21Cl3Ti — CID 159789565

IUPAC1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
SMILESCc1cccc(C(c2cccc(C)c2)C2[C-]=Cc3ccccc32)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C24H21.3ClH.Ti/c1-17-7-5-10-20(15-17)24(21-11-6-8-18(2)16-21)23-14-13-19-9-3-4-12-22(19)23;;;;/h3-13,15-16,23-24H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyXMNCYOVKHHEWHN-UHFFFAOYSA-K
MW463.66 g/mol
LogP-2.94
Rot. Bonds3

About 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride

1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride (PubChem CID 159789565) has the molecular formula C24H21Cl3Ti and a molecular weight of 463.66 g/mol. Its IUPAC name is 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride.

Molecular Properties

Compound Name1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
PubChem CID159789565
Molecular FormulaC24H21Cl3Ti
Molecular Weight463.66 g/mol
Exact Mass462.02
IUPAC Name1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
SMILESCc1cccc(C(c2cccc(C)c2)C2[C-]=Cc3ccccc32)c1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C24H21.3ClH.Ti/c1-17-7-5-10-20(15-17)24(21-11-6-8-18(2)16-21)23-14-13-19-9-3-4-12-22(19)23;;;;/h3-13,15-16,23-24H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyXMNCYOVKHHEWHN-UHFFFAOYSA-K
XLogP-2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.66
LogP ≤ 5-2.94
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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Related Compounds

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CID 142020139
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
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hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
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CID 142381961
CID 142381961
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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride?
The IUPAC name of 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride (CID 159789565) is 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride.
What is the SMILES notation for 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride?
The canonical SMILES for 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride is Cc1cccc(C(c2cccc(C)c2)C2[C-]=Cc3ccccc32)c1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride?
The InChIKey is XMNCYOVKHHEWHN-UHFFFAOYSA-K. The full InChI is InChI=1S/C24H21.3ClH.Ti/c1-17-7-5-10-20(15-17)24(21-11-6-8-18(2)16-21)23-14-13-19-9-3-4-12-22(19)23;;;;/h3-13,15-16,23-24H,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride?
1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride has a molecular weight of 463.66 g/mol, XLogP of -2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride is sourced from PubChem (CID 159789565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).