cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)

C18H14Ti — CID 23102965

IUPACcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
SMILES[C-]1=CC=CC1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-5,7-8H,9H2;1-3H,4H2;/q2*-1;+2
InChIKeyZOTIZUZPIVUVTH-UHFFFAOYSA-N
MW278.18 g/mol
LogP4.36
Rot. Bonds

About cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)

cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+) (PubChem CID 23102965) has the molecular formula C18H14Ti and a molecular weight of 278.18 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
PubChem CID23102965
Molecular FormulaC18H14Ti
Molecular Weight278.18 g/mol
Exact Mass278.06
IUPAC Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
SMILES[C-]1=CC=CC1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-5,7-8H,9H2;1-3H,4H2;/q2*-1;+2
InChIKeyZOTIZUZPIVUVTH-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.36
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

dilithium;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide
CID 19418222
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium;dihydrochloride
CID 87101265
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenetitanium
CID 21256054
CID 173302368
CID 173302368
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;disilylidenezirconium;dihydrochloride
CID 173081380
CID 173313985
CID 173313985
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
CID 173267556
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
CID 18316822
1,1'-biphenyl;carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;zirconium(3+);dihydrochloride
CID 173153112
bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
CID 21253595
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;difluoride
CID 22323902
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;bis(2-methanidylpropane);silylidenezirconium;dihydrochloride
CID 173156970

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)?
The IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+) (CID 23102965) is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+) is [C-]1=CC=CC1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)?
The InChIKey is ZOTIZUZPIVUVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-5,7-8H,9H2;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)?
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+) has a molecular weight of 278.18 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+) is sourced from PubChem (CID 23102965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).