hafnium;2-methyl-4-phenyl-1H-inden-1-ide

C16H13Hf- — CID 154081664

IUPAChafnium;2-methyl-4-phenyl-1H-inden-1-ide
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.[Hf]
InChIInChI=1S/C16H13.Hf/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;/h2-11H,1H3;/q-1;
InChIKeyNDXQGARGBAFIIT-UHFFFAOYSA-N
MW383.77 g/mol
LogP4.53
Rot. Bonds1

About hafnium;2-methyl-4-phenyl-1H-inden-1-ide

hafnium;2-methyl-4-phenyl-1H-inden-1-ide (PubChem CID 154081664) has the molecular formula C16H13Hf- and a molecular weight of 383.77 g/mol. Its IUPAC name is hafnium;2-methyl-4-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namehafnium;2-methyl-4-phenyl-1H-inden-1-ide
PubChem CID154081664
Molecular FormulaC16H13Hf-
Molecular Weight383.77 g/mol
Exact Mass385.05
IUPAC Namehafnium;2-methyl-4-phenyl-1H-inden-1-ide
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.[Hf]
InChIInChI=1S/C16H13.Hf/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;/h2-11H,1H3;/q-1;
InChIKeyNDXQGARGBAFIIT-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 54.53
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

bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173284099
CID 173284099
CID 173168918
CID 173168918
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 160745870
CID 87993698
CID 87993698
CID 173314158
CID 173314158
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
CID 150666493
CID 150666493
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(2-methyl-4-phenyl-1H-inden-1-ide);phenylboranylidenezirconium(2+);dichloride
CID 158019143

Frequently Asked Questions

What is the IUPAC name of hafnium;2-methyl-4-phenyl-1H-inden-1-ide?
The IUPAC name of hafnium;2-methyl-4-phenyl-1H-inden-1-ide (CID 154081664) is hafnium;2-methyl-4-phenyl-1H-inden-1-ide.
What is the SMILES notation for hafnium;2-methyl-4-phenyl-1H-inden-1-ide?
The canonical SMILES for hafnium;2-methyl-4-phenyl-1H-inden-1-ide is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Hf].
What is the InChIKey of hafnium;2-methyl-4-phenyl-1H-inden-1-ide?
The InChIKey is NDXQGARGBAFIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13.Hf/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;/h2-11H,1H3;/q-1;.
What are the key properties of hafnium;2-methyl-4-phenyl-1H-inden-1-ide?
hafnium;2-methyl-4-phenyl-1H-inden-1-ide has a molecular weight of 383.77 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2-methyl-4-phenyl-1H-inden-1-ide is sourced from PubChem (CID 154081664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).