carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium

C27H41Hf-7 — CID 156638128

IUPACcarbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium
SMILESCC(C)[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C17H21.C5H5.5CH3.Hf/c1-11(2)15-6-5-12-7-13-9-17(3,4)10-14(13)8-16(12)15;1-2-4-5-3-1;;;;;;/h5-8,11H,9-10H2,1-4H3;1-5H;5*1H3;/q7*-1;
InChIKeyWHOGQUWSQALFAO-UHFFFAOYSA-N
MW544.12 g/mol
LogP8.46
Rot. Bonds1

About carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium

carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium (PubChem CID 156638128) has the molecular formula C27H41Hf-7 and a molecular weight of 544.12 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium
PubChem CID156638128
Molecular FormulaC27H41Hf-7
Molecular Weight544.12 g/mol
Exact Mass545.27
IUPAC Namecarbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium
SMILESCC(C)[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1
InChIInChI=1S/C17H21.C5H5.5CH3.Hf/c1-11(2)15-6-5-12-7-13-9-17(3,4)10-14(13)8-16(12)15;1-2-4-5-3-1;;;;;;/h5-8,11H,9-10H2,1-4H3;1-5H;5*1H3;/q7*-1;
InChIKeyWHOGQUWSQALFAO-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.12
LogP ≤ 58.46
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;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium (CID 156638128) is carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium is CC(C)[c-]1ccc2cc3c(cc21)CC(C)(C)C3.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium?
The InChIKey is WHOGQUWSQALFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21.C5H5.5CH3.Hf/c1-11(2)15-6-5-12-7-13-9-17(3,4)10-14(13)8-16(12)15;1-2-4-5-3-1;;;;;;/h5-8,11H,9-10H2,1-4H3;1-5H;5*1H3;/q7*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium?
carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium has a molecular weight of 544.12 g/mol, XLogP of 8.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;2,2-dimethyl-5-propan-2-yl-1,3-dihydro-s-indacen-5-ide;hafnium is sourced from PubChem (CID 156638128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).