4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium

C17H14BrCl2Zr- — CID 174390644

IUPAC4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
SMILESCCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C17H14Br.2ClH.Zr/c1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;;;/h3-11H,2H2,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyLLPOBQDEAJNTPJ-UHFFFAOYSA-L
MW460.33 g/mol
LogP6.93
Rot. Bonds2

About 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium

4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium (PubChem CID 174390644) has the molecular formula C17H14BrCl2Zr- and a molecular weight of 460.33 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
PubChem CID174390644
Molecular FormulaC17H14BrCl2Zr-
Molecular Weight460.33 g/mol
Exact Mass456.87
IUPAC Name4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
SMILESCCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C17H14Br.2ClH.Zr/c1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;;;/h3-11H,2H2,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyLLPOBQDEAJNTPJ-UHFFFAOYSA-L
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 56.93
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

dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008261
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium
CID 152758320
bis(2-ethyl-4-(4-methylphenyl)-1H-inden-1-ide);methylidenetitanium(2+)
CID 159250775
CID 173337910
CID 173337910
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 87879331
CID 87935572
CID 87935572
dichlorozirconium;2,4-diethyl-1H-inden-1-ide
CID 173263602
CID 173098253
CID 173098253

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium?
The IUPAC name of 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium (CID 174390644) is 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium.
What is the SMILES notation for 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium?
The canonical SMILES for 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium is CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium?
The InChIKey is LLPOBQDEAJNTPJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H14Br.2ClH.Zr/c1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;;;/h3-11H,2H2,1H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium?
4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium has a molecular weight of 460.33 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide;dichlorozirconium is sourced from PubChem (CID 174390644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).