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

C31H46Hf — CID 175775362

IUPACcarbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCCC[c-]1ccc2cc3c(cc21)CC(CC)(CC)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C19H25.C10H15.2CH3.Hf/c1-4-7-14-8-9-15-10-16-12-19(5-2,6-3)13-17(16)11-18(14)15;1-6-7(2)9(4)10(5)8(6)3;;;/h8-11H,4-7,12-13H2,1-3H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeyCMXPGVYIVIBMIA-UHFFFAOYSA-N
MW597.20 g/mol
LogP9.26
Rot. Bonds4

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

carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 175775362) has the molecular formula C31H46Hf and a molecular weight of 597.20 g/mol. Its IUPAC name is carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID175775362
Molecular FormulaC31H46Hf
Molecular Weight597.20 g/mol
Exact Mass598.31
IUPAC Namecarbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCCC[c-]1ccc2cc3c(cc21)CC(CC)(CC)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C19H25.C10H15.2CH3.Hf/c1-4-7-14-8-9-15-10-16-12-19(5-2,6-3)13-17(16)11-18(14)15;1-6-7(2)9(4)10(5)8(6)3;;;/h8-11H,4-7,12-13H2,1-3H3;1-5H3;2*1H3;/q4*-1;+4
InChIKeyCMXPGVYIVIBMIA-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.20
LogP ≤ 59.26
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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Related Compounds

1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-
CID 77154
1,1,5,6-tetramethyl-2,3-dihydro-1H-indene
CID 523106
1H-Indene, 2,3-dihydro-1,1,2,3,3,5-hexamethyl-
CID 95520
1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-
CID 66469
Indan, 1,1,4,5-tetramethyl-
CID 529435
2,7-Di-tert-butylfluorene
CID 4090082
Truxene
CID 68355
1,1,4,7-Tetramethylindan
CID 517895
1,1,4,6-Tetramethylindan
CID 523103
3,6-DI-Tert-butylfluorene
CID 11140437
Isotruxene
CID 519436
5-(tert-Butyl)-1,1-dimethylindan
CID 38021

Frequently Asked Questions

What is the IUPAC name of carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 175775362) is carbanide;2,2-diethyl-5-propyl-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;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is CCC[c-]1ccc2cc3c(cc21)CC(CC)(CC)C3.Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is CMXPGVYIVIBMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25.C10H15.2CH3.Hf/c1-4-7-14-8-9-15-10-16-12-19(5-2,6-3)13-17(16)11-18(14)15;1-6-7(2)9(4)10(5)8(6)3;;;/h8-11H,4-7,12-13H2,1-3H3;1-5H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
carbanide;2,2-diethyl-5-propyl-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 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,2-diethyl-5-propyl-1,3-dihydro-s-indacen-5-ide;hafnium(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 175775362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).