dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide

C27H27Cl2Zr- — CID 87884211

IUPACdichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide
SMILESCCCc1ccc2[cH-]c(-c3ccccc3)cc2c1-c1ccccc1C(C)C.Cl[Zr]Cl
InChIInChI=1S/C27H27.2ClH.Zr/c1-4-10-21-15-16-22-17-23(20-11-6-5-7-12-20)18-26(22)27(21)25-14-9-8-13-24(25)19(2)3;;;/h5-9,11-19H,4,10H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyWCIDLTRZAPVUQB-UHFFFAOYSA-L
MW513.64 g/mol
LogP9.35
Rot. Bonds5

About dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide

dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide (PubChem CID 87884211) has the molecular formula C27H27Cl2Zr- and a molecular weight of 513.64 g/mol. Its IUPAC name is dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide
PubChem CID87884211
Molecular FormulaC27H27Cl2Zr-
Molecular Weight513.64 g/mol
Exact Mass511.05
IUPAC Namedichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide
SMILESCCCc1ccc2[cH-]c(-c3ccccc3)cc2c1-c1ccccc1C(C)C.Cl[Zr]Cl
InChIInChI=1S/C27H27.2ClH.Zr/c1-4-10-21-15-16-22-17-23(20-11-6-5-7-12-20)18-26(22)27(21)25-14-9-8-13-24(25)19(2)3;;;/h5-9,11-19H,4,10H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyWCIDLTRZAPVUQB-UHFFFAOYSA-L
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.35
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;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884069
dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87865100
CID 173178839
CID 173178839
CID 173178397
CID 173178397
dichlorozirconium;5-methyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
CID 87884080
dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87883960
CID 87703413
CID 87703413
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide;dichlorozirconium
CID 87884167
CID 173178161
CID 173178161
dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
CID 87884173
CID 173178428
CID 173178428
dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide
CID 87865079

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide (CID 87884211) is dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide is CCCc1ccc2[cH-]c(-c3ccccc3)cc2c1-c1ccccc1C(C)C.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide?
The InChIKey is WCIDLTRZAPVUQB-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H27.2ClH.Zr/c1-4-10-21-15-16-22-17-23(20-11-6-5-7-12-20)18-26(22)27(21)25-14-9-8-13-24(25)19(2)3;;;/h5-9,11-19H,4,10H2,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide?
dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide has a molecular weight of 513.64 g/mol, XLogP of 9.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide is sourced from PubChem (CID 87884211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).