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

C30H28Ti — CID 19698863

IUPACbis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
SMILES[CH2-]C.[CH2-]C.[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.2C2H5.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2;/h2*1-5,7-8H,9H2;2*1H2,2H3;/q4*-1;+4
InChIKeyLUGNEOSOBGWECX-UHFFFAOYSA-N
MW436.42 g/mol
LogP7.79
Rot. Bonds

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

bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+) (PubChem CID 19698863) has the molecular formula C30H28Ti and a molecular weight of 436.42 g/mol. Its IUPAC name is bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+).

Molecular Properties

Compound Namebis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
PubChem CID19698863
Molecular FormulaC30H28Ti
Molecular Weight436.42 g/mol
Exact Mass436.17
IUPAC Namebis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
SMILES[CH2-]C.[CH2-]C.[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.2C2H5.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2;/h2*1-5,7-8H,9H2;2*1H2,2H3;/q4*-1;+4
InChIKeyLUGNEOSOBGWECX-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.42
LogP ≤ 57.79
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

1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
CID 154493054
CID 154493054
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
butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
CID 173260999
bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
CID 163641961

Frequently Asked Questions

What is the IUPAC name of bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)?
The IUPAC name of bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+) (CID 19698863) is bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+).
What is the SMILES notation for bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)?
The canonical SMILES for bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+) is [CH2-]C.[CH2-]C.[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)?
The InChIKey is LUGNEOSOBGWECX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.2C2H5.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2;/h2*1-5,7-8H,9H2;2*1H2,2H3;/q4*-1;+4.
What are the key properties of bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)?
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+) has a molecular weight of 436.42 g/mol, XLogP of 7.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+) is sourced from PubChem (CID 19698863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).