carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)

C34H36Hf — CID 156634644

IUPACcarbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)
SMILESCCCC1c2[c-]cccc2-c2ccccc21.CCCC1c2[c-]cccc2-c2ccccc21.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/2C16H15.2CH3.Hf/c2*1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16;;;/h2*3-6,8,10-12H,2,7H2,1H3;2*1H3;/q4*-1;+4
InChIKeyLUDVQHITWBIYOE-UHFFFAOYSA-N
MW623.15 g/mol
LogP9.70
Rot. Bonds4

About carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)

carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide) (PubChem CID 156634644) has the molecular formula C34H36Hf and a molecular weight of 623.15 g/mol. Its IUPAC name is carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide).

Molecular Properties

Compound Namecarbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)
PubChem CID156634644
Molecular FormulaC34H36Hf
Molecular Weight623.15 g/mol
Exact Mass624.23
IUPAC Namecarbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)
SMILESCCCC1c2[c-]cccc2-c2ccccc21.CCCC1c2[c-]cccc2-c2ccccc21.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/2C16H15.2CH3.Hf/c2*1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16;;;/h2*3-6,8,10-12H,2,7H2,1H3;2*1H3;/q4*-1;+4
InChIKeyLUDVQHITWBIYOE-UHFFFAOYSA-N
XLogP9.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.15
LogP ≤ 59.70
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

cobalt(2+);bis(1,9-dihydrofluoren-1-id-9-yl(trimethyl)silane)
CID 22297094
bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)
CID 18513112
1,9-dihydrofluoren-1-id-9-yl(trimethyl)silane;titanium(4+);trichloride
CID 18766762
tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride
CID 18512956
9-nonyl-9H-fluorene
CID 22568532
1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)
CID 88593065
lithium 9-ethyl-9H-fluorene
CID 23225742
1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride
CID 173384978
1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
CID 18513078
9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;hafnium;dichloride
CID 160990019
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride
CID 23174972
9-cyclopent-2-en-1-yl-1,9-dihydrofluoren-1-ide;dichlorozirconium
CID 173293563

Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)?
The IUPAC name of carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide) (CID 156634644) is carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide).
What is the SMILES notation for carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)?
The canonical SMILES for carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide) is CCCC1c2[c-]cccc2-c2ccccc21.CCCC1c2[c-]cccc2-c2ccccc21.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)?
The InChIKey is LUDVQHITWBIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H15.2CH3.Hf/c2*1-2-7-12-13-8-3-5-10-15(13)16-11-6-4-9-14(12)16;;;/h2*3-6,8,10-12H,2,7H2,1H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)?
carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide) has a molecular weight of 623.15 g/mol, XLogP of 9.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide) is sourced from PubChem (CID 156634644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).