tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide

C30H27Br3Ti3 — CID 19696980

IUPACtris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide
SMILESCc1cccc2[cH-]ccc12.Cc1cccc2[cH-]ccc12.Cc1cccc2[cH-]ccc12.[Br-].[Br-].[Br-].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/3C10H9.3BrH.3Ti/c3*1-8-4-2-5-9-6-3-7-10(8)9;;;;;;/h3*2-7H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyKRDKGRQELINVMN-UHFFFAOYSA-K
MW770.86 g/mol
LogP-0.39
Rot. Bonds

About tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide

tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide (PubChem CID 19696980) has the molecular formula C30H27Br3Ti3 and a molecular weight of 770.86 g/mol. Its IUPAC name is tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide.

Molecular Properties

Compound Nametris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide
PubChem CID19696980
Molecular FormulaC30H27Br3Ti3
Molecular Weight770.86 g/mol
Exact Mass767.81
IUPAC Nametris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide
SMILESCc1cccc2[cH-]ccc12.Cc1cccc2[cH-]ccc12.Cc1cccc2[cH-]ccc12.[Br-].[Br-].[Br-].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/3C10H9.3BrH.3Ti/c3*1-8-4-2-5-9-6-3-7-10(8)9;;;;;;/h3*2-7H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyKRDKGRQELINVMN-UHFFFAOYSA-K
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500770.86
LogP ≤ 5-0.39
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

4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)
CID 19696964
dimethylsilylidenezirconium(2+);4-methyl-1H-inden-1-ide;4-phenyl-1H-inden-1-ide;dichloride
CID 18369813
tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride
CID 19696940
4-bromo-1H-inden-1-ide;zirconium
CID 175030848
4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane
CID 173212801
ethanolate;4-ethyl-1H-inden-1-ide;titanium(4+)
CID 159652722
1,5-dimethylnaphthalene
CID 162159355
4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride
CID 87557207
bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18474436
hafnium;3-methyl-1H-inden-1-ide;dichloride
CID 89420354
4,7-dimethyl-1H-inden-1-ide;scandium
CID 151166437
bis(1-(1H-inden-1-id-4-yl)pyrrole);zirconium(4+);dichloride
CID 87863389

Frequently Asked Questions

What is the IUPAC name of tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide?
The IUPAC name of tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide (CID 19696980) is tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide.
What is the SMILES notation for tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide?
The canonical SMILES for tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide is Cc1cccc2[cH-]ccc12.Cc1cccc2[cH-]ccc12.Cc1cccc2[cH-]ccc12.[Br-].[Br-].[Br-].[Ti+2].[Ti+2].[Ti+2].
What is the InChIKey of tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide?
The InChIKey is KRDKGRQELINVMN-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H9.3BrH.3Ti/c3*1-8-4-2-5-9-6-3-7-10(8)9;;;;;;/h3*2-7H,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3.
What are the key properties of tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide?
tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide has a molecular weight of 770.86 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide is sourced from PubChem (CID 19696980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).