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

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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).