tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride

C45H33Cl3Ti3 — CID 19696927

IUPACtris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride
SMILES[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2].c1ccc(-c2ccc3[cH-]ccc3c2)cc1.c1ccc(-c2ccc3[cH-]ccc3c2)cc1.c1ccc(-c2ccc3[cH-]ccc3c2)cc1
InChIInChI=1S/3C15H11.3ClH.3Ti/c3*1-2-5-12(6-3-1)15-10-9-13-7-4-8-14(13)11-15;;;;;;/h3*1-11H;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyORLUWXUTAAKMAB-UHFFFAOYSA-K
MW823.72 g/mol
LogP3.68
Rot. Bonds3

About tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride

tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride (PubChem CID 19696927) has the molecular formula C45H33Cl3Ti3 and a molecular weight of 823.72 g/mol. Its IUPAC name is tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride.

Molecular Properties

Compound Nametris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride
PubChem CID19696927
Molecular FormulaC45H33Cl3Ti3
Molecular Weight823.72 g/mol
Exact Mass822.01
IUPAC Nametris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride
SMILES[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2].c1ccc(-c2ccc3[cH-]ccc3c2)cc1.c1ccc(-c2ccc3[cH-]ccc3c2)cc1.c1ccc(-c2ccc3[cH-]ccc3c2)cc1
InChIInChI=1S/3C15H11.3ClH.3Ti/c3*1-2-5-12(6-3-1)15-10-9-13-7-4-8-14(13)11-15;;;;;;/h3*1-11H;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyORLUWXUTAAKMAB-UHFFFAOYSA-K
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500823.72
LogP ≤ 53.68
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

1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
2,7-diphenylanthracene
CID 154020316
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
CID 22327850
CID 173308427
CID 173308427
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
dichlororuthenium;2-methyl-5-phenyl-1H-inden-1-ide
CID 150866030
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478

Frequently Asked Questions

What is the IUPAC name of tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The IUPAC name of tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride (CID 19696927) is tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride.
What is the SMILES notation for tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The canonical SMILES for tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride is [Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].[Ti+2].c1ccc(-c2ccc3[cH-]ccc3c2)cc1.c1ccc(-c2ccc3[cH-]ccc3c2)cc1.c1ccc(-c2ccc3[cH-]ccc3c2)cc1.
What is the InChIKey of tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
The InChIKey is ORLUWXUTAAKMAB-UHFFFAOYSA-K. The full InChI is InChI=1S/3C15H11.3ClH.3Ti/c3*1-2-5-12(6-3-1)15-10-9-13-7-4-8-14(13)11-15;;;;;;/h3*1-11H;3*1H;;;/q3*-1;;;;3*+2/p-3.
What are the key properties of tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride?
tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride has a molecular weight of 823.72 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-phenyl-1H-inden-1-ide);tris(titanium(2+));trichloride is sourced from PubChem (CID 19696927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).