carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C28H40Hf — CID 175775513

IUPACcarbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCC[c-]1ccc2cc3c(cc21)CC(C)(C)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C16H19.C10H15.2CH3.Hf/c1-4-11-5-6-12-7-13-9-16(2,3)10-14(13)8-15(11)12;1-6-7(2)9(4)10(5)8(6)3;;;/h5-8H,4,9-10H2,1-3H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeySMKWUAIMPOTBMK-UHFFFAOYSA-N
MW555.12 g/mol
LogP8.09
Rot. Bonds1

About carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 175775513) has the molecular formula C28H40Hf and a molecular weight of 555.12 g/mol. Its IUPAC name is carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID175775513
Molecular FormulaC28H40Hf
Molecular Weight555.12 g/mol
Exact Mass556.26
IUPAC Namecarbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCC[c-]1ccc2cc3c(cc21)CC(C)(C)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C16H19.C10H15.2CH3.Hf/c1-4-11-5-6-12-7-13-9-16(2,3)10-14(13)8-15(11)12;1-6-7(2)9(4)10(5)8(6)3;;;/h5-8H,4,9-10H2,1-3H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeySMKWUAIMPOTBMK-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.12
LogP ≤ 58.09
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;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 175775513) is carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is CC[c-]1ccc2cc3c(cc21)CC(C)(C)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is SMKWUAIMPOTBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19.C10H15.2CH3.Hf/c1-4-11-5-6-12-7-13-9-16(2,3)10-14(13)8-15(11)12;1-6-7(2)9(4)10(5)8(6)3;;;/h5-8H,4,9-10H2,1-3H3;1-5H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 555.12 g/mol, XLogP of 8.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-ethyl-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 175775513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).