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

C31H46Hf — CID 175775516

IUPACcarbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCC(C)(C)C[c-]1ccc2cc3c(cc21)CC(C)(C)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C19H25.C10H15.2CH3.Hf/c1-18(2,3)10-14-7-6-13-8-15-11-19(4,5)12-16(15)9-17(13)14;1-6-7(2)9(4)10(5)8(6)3;;;/h6-9H,10-12H2,1-5H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeyCKMJBKYAHPVGCW-UHFFFAOYSA-N
MW597.20 g/mol
LogP9.12
Rot. Bonds1

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

carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 175775516) has the molecular formula C31H46Hf and a molecular weight of 597.20 g/mol. Its IUPAC name is carbanide;5-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID175775516
Molecular FormulaC31H46Hf
Molecular Weight597.20 g/mol
Exact Mass598.31
IUPAC Namecarbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCC(C)(C)C[c-]1ccc2cc3c(cc21)CC(C)(C)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C19H25.C10H15.2CH3.Hf/c1-18(2,3)10-14-7-6-13-8-15-11-19(4,5)12-16(15)9-17(13)14;1-6-7(2)9(4)10(5)8(6)3;;;/h6-9H,10-12H2,1-5H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeyCKMJBKYAHPVGCW-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.20
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 175775516) is carbanide;5-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is CC(C)(C)C[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-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is CKMJBKYAHPVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25.C10H15.2CH3.Hf/c1-18(2,3)10-14-7-6-13-8-15-11-19(4,5)12-16(15)9-17(13)14;1-6-7(2)9(4)10(5)8(6)3;;;/h6-9H,10-12H2,1-5H3;1-5H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;5-(2,2-dimethylpropyl)-2,2-dimethyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
carbanide;5-(2,2-dimethylpropyl)-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 597.20 g/mol, XLogP of 9.12, 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(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 175775516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).