carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C25H36Hf — CID 151925548

IUPACcarbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCCC1=[C-]C(CC)c2ccccc21.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C13H15.C10H15.2CH3.Hf/c1-3-10-9-11(4-2)13-8-6-5-7-12(10)13;1-6-7(2)9(4)10(5)8(6)3;;;/h5-8,10H,3-4H2,1-2H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeySXRGIIQHQSKGIF-UHFFFAOYSA-N
MW515.05 g/mol
LogP7.64
Rot. Bonds2

About carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 151925548) has the molecular formula C25H36Hf and a molecular weight of 515.05 g/mol. Its IUPAC name is carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID151925548
Molecular FormulaC25H36Hf
Molecular Weight515.05 g/mol
Exact Mass516.23
IUPAC Namecarbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCCC1=[C-]C(CC)c2ccccc21.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C13H15.C10H15.2CH3.Hf/c1-3-10-9-11(4-2)13-8-6-5-7-12(10)13;1-6-7(2)9(4)10(5)8(6)3;;;/h5-8,10H,3-4H2,1-2H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeySXRGIIQHQSKGIF-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.05
LogP ≤ 57.64
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;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 151925548) is carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is CCC1=[C-]C(CC)c2ccccc21.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is SXRGIIQHQSKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15.C10H15.2CH3.Hf/c1-3-10-9-11(4-2)13-8-6-5-7-12(10)13;1-6-7(2)9(4)10(5)8(6)3;;;/h5-8,10H,3-4H2,1-2H3;1-5H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 515.05 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,3-diethyl-1,2-dihydroinden-2-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 151925548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).