carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide

C16H17Hf-3 — CID 175248588

IUPACcarbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide
SMILESC[c-]1ccc2ccc3ccccc3c21.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C14H11.2CH3.Hf/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(10)12;;;/h2-9H,1H3;2*1H3;/q3*-1;
InChIKeyIGYNAHABVKUVON-UHFFFAOYSA-N
MW387.80 g/mol
LogP4.92
Rot. Bonds

About carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide

carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide (PubChem CID 175248588) has the molecular formula C16H17Hf-3 and a molecular weight of 387.80 g/mol. Its IUPAC name is carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide.

Molecular Properties

Compound Namecarbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide
PubChem CID175248588
Molecular FormulaC16H17Hf-3
Molecular Weight387.80 g/mol
Exact Mass389.08
IUPAC Namecarbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide
SMILESC[c-]1ccc2ccc3ccccc3c21.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C14H11.2CH3.Hf/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(10)12;;;/h2-9H,1H3;2*1H3;/q3*-1;
InChIKeyIGYNAHABVKUVON-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 54.92
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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Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide?
The IUPAC name of carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide (CID 175248588) is carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide.
What is the SMILES notation for carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide?
The canonical SMILES for carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide is C[c-]1ccc2ccc3ccccc3c21.[CH3-].[CH3-].[Hf].
What is the InChIKey of carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide?
The InChIKey is IGYNAHABVKUVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11.2CH3.Hf/c1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(10)12;;;/h2-9H,1H3;2*1H3;/q3*-1;.
What are the key properties of carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide?
carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide has a molecular weight of 387.80 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium;1-methylcyclopenta[a]naphthalen-1-ide is sourced from PubChem (CID 175248588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).