butane;1,9-dihydrofluoren-1-ide;titanium(4+)

C25H36Ti — CID 150363800

IUPACbutane;1,9-dihydrofluoren-1-ide;titanium(4+)
SMILES[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Ti+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3C4H9.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-4-2;/h1-5,7-8H,9H2;3*1,3-4H2,2H3;/q4*-1;+4
InChIKeyHTJKNMMTJPJPKV-UHFFFAOYSA-N
MW384.43 g/mol
LogP7.92
Rot. Bonds3

About butane;1,9-dihydrofluoren-1-ide;titanium(4+)

butane;1,9-dihydrofluoren-1-ide;titanium(4+) (PubChem CID 150363800) has the molecular formula C25H36Ti and a molecular weight of 384.43 g/mol. Its IUPAC name is butane;1,9-dihydrofluoren-1-ide;titanium(4+).

Molecular Properties

Compound Namebutane;1,9-dihydrofluoren-1-ide;titanium(4+)
PubChem CID150363800
Molecular FormulaC25H36Ti
Molecular Weight384.43 g/mol
Exact Mass384.23
IUPAC Namebutane;1,9-dihydrofluoren-1-ide;titanium(4+)
SMILES[CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Ti+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3C4H9.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-4-2;/h1-5,7-8H,9H2;3*1,3-4H2,2H3;/q4*-1;+4
InChIKeyHTJKNMMTJPJPKV-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze butane;1,9-dihydrofluoren-1-ide;titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
CID 173260999
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
CID 154493054
CID 154493054
butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173157100
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
CID 87137061

Frequently Asked Questions

What is the IUPAC name of butane;1,9-dihydrofluoren-1-ide;titanium(4+)?
The IUPAC name of butane;1,9-dihydrofluoren-1-ide;titanium(4+) (CID 150363800) is butane;1,9-dihydrofluoren-1-ide;titanium(4+).
What is the SMILES notation for butane;1,9-dihydrofluoren-1-ide;titanium(4+)?
The canonical SMILES for butane;1,9-dihydrofluoren-1-ide;titanium(4+) is [CH2-]CCC.[CH2-]CCC.[CH2-]CCC.[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of butane;1,9-dihydrofluoren-1-ide;titanium(4+)?
The InChIKey is HTJKNMMTJPJPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.3C4H9.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-4-2;/h1-5,7-8H,9H2;3*1,3-4H2,2H3;/q4*-1;+4.
What are the key properties of butane;1,9-dihydrofluoren-1-ide;titanium(4+)?
butane;1,9-dihydrofluoren-1-ide;titanium(4+) has a molecular weight of 384.43 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,9-dihydrofluoren-1-ide;titanium(4+) is sourced from PubChem (CID 150363800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).