carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium

C21H31Hf-3 — CID 175248630

IUPACcarbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium
SMILESCC(C)(C)C[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C19H25.2CH3.Hf/c1-18(2,3)10-14-7-6-13-8-15-11-19(4,5)12-16(15)9-17(13)14;;;/h6-9H,10-12H2,1-5H3;2*1H3;/q3*-1;
InChIKeyNADKNXAHBQVREM-UHFFFAOYSA-N
MW461.97 g/mol
LogP6.17
Rot. Bonds1

About carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium

carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium (PubChem CID 175248630) has the molecular formula C21H31Hf-3 and a molecular weight of 461.97 g/mol. Its IUPAC name is carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium.

Molecular Properties

Compound Namecarbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium
PubChem CID175248630
Molecular FormulaC21H31Hf-3
Molecular Weight461.97 g/mol
Exact Mass463.19
IUPAC Namecarbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium
SMILESCC(C)(C)C[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[CH3-].[CH3-].[Hf]
InChIInChI=1S/C19H25.2CH3.Hf/c1-18(2,3)10-14-7-6-13-8-15-11-19(4,5)12-16(15)9-17(13)14;;;/h6-9H,10-12H2,1-5H3;2*1H3;/q3*-1;
InChIKeyNADKNXAHBQVREM-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.97
LogP ≤ 56.17
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-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium?
The IUPAC name of carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium (CID 175248630) is carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium.
What is the SMILES notation for carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium?
The canonical SMILES for carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium is CC(C)(C)C[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[CH3-].[CH3-].[Hf].
What is the InChIKey of carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium?
The InChIKey is NADKNXAHBQVREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25.2CH3.Hf/c1-18(2,3)10-14-7-6-13-8-15-11-19(4,5)12-16(15)9-17(13)14;;;/h6-9H,10-12H2,1-5H3;2*1H3;/q3*-1;.
What are the key properties of carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium?
carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium has a molecular weight of 461.97 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium is sourced from PubChem (CID 175248630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).