dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide

C27H27Cl2Zr- — CID 87865079

IUPACdichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide
SMILESCC(C)c1cc2c(-c3ccccc3-c3ccccc3)c(C(C)C)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C27H27.2ClH.Zr/c1-18(2)22-16-21-14-15-23(19(3)4)27(26(21)17-22)25-13-9-8-12-24(25)20-10-6-5-7-11-20;;;/h5-19H,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyLNZGFZXQHPQTAL-UHFFFAOYSA-L
MW513.64 g/mol
LogP9.52
Rot. Bonds4

About dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide

dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide (PubChem CID 87865079) has the molecular formula C27H27Cl2Zr- and a molecular weight of 513.64 g/mol. Its IUPAC name is dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide
PubChem CID87865079
Molecular FormulaC27H27Cl2Zr-
Molecular Weight513.64 g/mol
Exact Mass511.05
IUPAC Namedichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide
SMILESCC(C)c1cc2c(-c3ccccc3-c3ccccc3)c(C(C)C)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C27H27.2ClH.Zr/c1-18(2)22-16-21-14-15-23(19(3)4)27(26(21)17-22)25-13-9-8-12-24(25)20-10-6-5-7-11-20;;;/h5-19H,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyLNZGFZXQHPQTAL-UHFFFAOYSA-L
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.52
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;4-(2-phenylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87865100
dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide
CID 87824056
CID 87703112
CID 87703112
CID 87702578
CID 87702578
CID 87702431
CID 87702431
5-tert-butyl-4-(2-methylphenyl)-2-propan-2-yl-1H-inden-1-ide;dichlorozirconium
CID 87884202
2-butan-2-yl-4-(2-ethylphenyl)-5-phenyl-1H-inden-1-ide;dichlorozirconium
CID 87884117
CID 87866303
CID 87866303
CID 173177876
CID 173177876
CID 173178313
CID 173178313
dichlorozirconium;4-(2-ethylphenyl)-2-propan-2-yl-5-propyl-1H-inden-1-ide
CID 87883960
2-butan-2-yl-5-ethyl-4-(2-propan-2-ylphenyl)-1H-inden-1-ide;dichlorozirconium
CID 87884167

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide (CID 87865079) is dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide is CC(C)c1cc2c(-c3ccccc3-c3ccccc3)c(C(C)C)ccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide?
The InChIKey is LNZGFZXQHPQTAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H27.2ClH.Zr/c1-18(2)22-16-21-14-15-23(19(3)4)27(26(21)17-22)25-13-9-8-12-24(25)20-10-6-5-7-11-20;;;/h5-19H,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide?
dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide has a molecular weight of 513.64 g/mol, XLogP of 9.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;4-(2-phenylphenyl)-2,5-di(propan-2-yl)-1H-inden-1-ide is sourced from PubChem (CID 87865079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).