2,6-ditert-butyl-9H-fluorene;dichlorotitanium

C21H26Cl2Ti — CID 174369876

IUPAC2,6-ditert-butyl-9H-fluorene;dichlorotitanium
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccc(C(C)(C)C)cc1-2.Cl[Ti]Cl
InChIInChI=1S/C21H26.2ClH.Ti/c1-20(2,3)16-9-10-18-15(12-16)11-14-7-8-17(13-19(14)18)21(4,5)6;;;/h7-10,12-13H,11H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyRVNGFLWNMMTLQD-UHFFFAOYSA-L
MW397.21 g/mol
LogP7.23
Rot. Bonds

About 2,6-ditert-butyl-9H-fluorene;dichlorotitanium

2,6-ditert-butyl-9H-fluorene;dichlorotitanium (PubChem CID 174369876) has the molecular formula C21H26Cl2Ti and a molecular weight of 397.21 g/mol. Its IUPAC name is 2,6-ditert-butyl-9H-fluorene;dichlorotitanium.

Molecular Properties

Compound Name2,6-ditert-butyl-9H-fluorene;dichlorotitanium
PubChem CID174369876
Molecular FormulaC21H26Cl2Ti
Molecular Weight397.21 g/mol
Exact Mass396.09
IUPAC Name2,6-ditert-butyl-9H-fluorene;dichlorotitanium
SMILESCC(C)(C)c1ccc2c(c1)Cc1ccc(C(C)(C)C)cc1-2.Cl[Ti]Cl
InChIInChI=1S/C21H26.2ClH.Ti/c1-20(2,3)16-9-10-18-15(12-16)11-14-7-8-17(13-19(14)18)21(4,5)6;;;/h7-10,12-13H,11H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyRVNGFLWNMMTLQD-UHFFFAOYSA-L
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.21
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6-ditert-butyl-9H-fluorene;dichlorotitanium 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

2-[7-(2-sulfanylpropan-2-yl)-9H-fluoren-2-yl]propane-2-thiol
CID 167021696
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235
1-bromo-3,6-ditert-butyl-9H-fluorene
CID 152720081
(2R)-1-chloro-2-(9H-fluoren-2-yl)propan-2-ol
CID 129362356
3,5-ditert-butyl-1H-indene
CID 20675508
dilithium bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide)
CID 159501718
CID 23078665
CID 23078665
3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;zirconium(3+);dibromide
CID 172713577
2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane
CID 144503486
2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
CID 87824712
3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole
CID 158328553

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-9H-fluorene;dichlorotitanium?
The IUPAC name of 2,6-ditert-butyl-9H-fluorene;dichlorotitanium (CID 174369876) is 2,6-ditert-butyl-9H-fluorene;dichlorotitanium.
What is the SMILES notation for 2,6-ditert-butyl-9H-fluorene;dichlorotitanium?
The canonical SMILES for 2,6-ditert-butyl-9H-fluorene;dichlorotitanium is CC(C)(C)c1ccc2c(c1)Cc1ccc(C(C)(C)C)cc1-2.Cl[Ti]Cl.
What is the InChIKey of 2,6-ditert-butyl-9H-fluorene;dichlorotitanium?
The InChIKey is RVNGFLWNMMTLQD-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H26.2ClH.Ti/c1-20(2,3)16-9-10-18-15(12-16)11-14-7-8-17(13-19(14)18)21(4,5)6;;;/h7-10,12-13H,11H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2,6-ditert-butyl-9H-fluorene;dichlorotitanium?
2,6-ditert-butyl-9H-fluorene;dichlorotitanium has a molecular weight of 397.21 g/mol, XLogP of 7.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-9H-fluorene;dichlorotitanium is sourced from PubChem (CID 174369876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).