1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)

C22H16Ti — CID 154095887

IUPAC1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)
SMILES[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H9.C9H7.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;/h1-5,7-8H,9H2;1-7H;/q2*-1;+2
InChIKeyXBUOHUNPJUQKMQ-UHFFFAOYSA-N
MW328.24 g/mol
LogP5.61
Rot. Bonds

About 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)

1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+) (PubChem CID 154095887) has the molecular formula C22H16Ti and a molecular weight of 328.24 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+).

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)
PubChem CID154095887
Molecular FormulaC22H16Ti
Molecular Weight328.24 g/mol
Exact Mass328.07
IUPAC Name1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)
SMILES[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C13H9.C9H7.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;/h1-5,7-8H,9H2;1-7H;/q2*-1;+2
InChIKeyXBUOHUNPJUQKMQ-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.24
LogP ≤ 55.61
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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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)?
The IUPAC name of 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+) (CID 154095887) is 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+).
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+) is [Ti+2].[c-]1cccc2c1Cc1ccccc1-2.c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)?
The InChIKey is XBUOHUNPJUQKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C9H7.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;/h1-5,7-8H,9H2;1-7H;/q2*-1;+2.
What are the key properties of 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+)?
1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+) has a molecular weight of 328.24 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;1H-inden-1-ide;titanium(2+) is sourced from PubChem (CID 154095887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).