2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium

C24H32Cl2Zr — CID 174312655

IUPAC2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium
SMILESCCC1c2cc(C(C)(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc21.Cl[Zr]Cl
InChIInChI=1S/C24H32.2ClH.Zr/c1-9-18-20-13-16(23(3,4)5)10-11-19(20)22-15(2)12-17(14-21(18)22)24(6,7)8;;;/h10-14,18H,9H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyYKHDLOPIVXDPLH-UHFFFAOYSA-L
MW482.65 g/mol
LogP8.49
Rot. Bonds1

About 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium

2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium (PubChem CID 174312655) has the molecular formula C24H32Cl2Zr and a molecular weight of 482.65 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium.

Molecular Properties

Compound Name2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium
PubChem CID174312655
Molecular FormulaC24H32Cl2Zr
Molecular Weight482.65 g/mol
Exact Mass480.09
IUPAC Name2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium
SMILESCCC1c2cc(C(C)(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc21.Cl[Zr]Cl
InChIInChI=1S/C24H32.2ClH.Zr/c1-9-18-20-13-16(23(3,4)5)10-11-19(20)22-15(2)12-17(14-21(18)22)24(6,7)8;;;/h10-14,18H,9H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyYKHDLOPIVXDPLH-UHFFFAOYSA-L
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium?
The IUPAC name of 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium (CID 174312655) is 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium.
What is the SMILES notation for 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium?
The canonical SMILES for 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium is CCC1c2cc(C(C)(C)C)ccc2-c2c(C)cc(C(C)(C)C)cc21.Cl[Zr]Cl.
What is the InChIKey of 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium?
The InChIKey is YKHDLOPIVXDPLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H32.2ClH.Zr/c1-9-18-20-13-16(23(3,4)5)10-11-19(20)22-15(2)12-17(14-21(18)22)24(6,7)8;;;/h10-14,18H,9H2,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium?
2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium has a molecular weight of 482.65 g/mol, XLogP of 8.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-ethyl-4-methyl-9H-fluorene;dichlorozirconium is sourced from PubChem (CID 174312655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).