benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide

C27H25Hf-5 — CID 173309786

IUPACbenzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
SMILES[C-]1=CC=CC1.[CH3-].[Hf].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2C6H5.C5H5.CH3.Hf/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-7H;2*1-5H;1-3H,4H2;1H3;/q5*-1;
InChIKeyRFOGYMWJOZVYIP-UHFFFAOYSA-N
MW527.99 g/mol
LogP7.29
Rot. Bonds

About benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide

benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide (PubChem CID 173309786) has the molecular formula C27H25Hf-5 and a molecular weight of 527.99 g/mol. Its IUPAC name is benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide.

Molecular Properties

Compound Namebenzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
PubChem CID173309786
Molecular FormulaC27H25Hf-5
Molecular Weight527.99 g/mol
Exact Mass529.14
IUPAC Namebenzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
SMILES[C-]1=CC=CC1.[CH3-].[Hf].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2C6H5.C5H5.CH3.Hf/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-7H;2*1-5H;1-3H,4H2;1H3;/q5*-1;
InChIKeyRFOGYMWJOZVYIP-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.99
LogP ≤ 57.29
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

carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;zirconium
CID 175183042
carbanide;cyclopenta-1,3-diene;dichlorozirconium;1H-inden-1-ide;zirconium(3+);dichloride
CID 19077828
CID 87556722
CID 87556722
butane;cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(2+)
CID 173283220
cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide
CID 22121693
benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium
CID 173237119
benzene;bis(1H-inden-1-ide);zirconium(4+)
CID 22438232
bis(cyclopenta-1,3-diene);bis(1H-inden-1-ide);propan-2-ylidenezirconium(2+);zirconium(4+);tetrachloride
CID 173106516
benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride
CID 87518498
carbanide;cyclopenta-1,3-diene;hydroxy(trimethyl)silane;1H-inden-1-ide;methanol;methylidenezirconium;dihydrochloride
CID 87936160
carbanide;cyclopenta-1,3-diene;dichlorozirconium;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride
CID 19077893
benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride
CID 172759266

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
The IUPAC name of benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide (CID 173309786) is benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide.
What is the SMILES notation for benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
The canonical SMILES for benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide is [C-]1=CC=CC1.[CH3-].[Hf].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
The InChIKey is RFOGYMWJOZVYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.2C6H5.C5H5.CH3.Hf/c1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h1-7H;2*1-5H;1-3H,4H2;1H3;/q5*-1;.
What are the key properties of benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide?
benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide has a molecular weight of 527.99 g/mol, XLogP of 7.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide is sourced from PubChem (CID 173309786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).