carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium

C30H30SiZr-4 — CID 173275196

IUPACcarbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
SMILESC[Si](C)=[Zr].[CH3-].[CH3-].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C2H6Si.2CH3.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2*1-5,7-8H,9H2;1-2H3;2*1H3;/q2*-1;;2*-1;
InChIKeyKPHJESXGRPSVGL-UHFFFAOYSA-N
MW509.88 g/mol
LogP7.80
Rot. Bonds

About carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium

carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium (PubChem CID 173275196) has the molecular formula C30H30SiZr-4 and a molecular weight of 509.88 g/mol. Its IUPAC name is carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium.

Molecular Properties

Compound Namecarbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
PubChem CID173275196
Molecular FormulaC30H30SiZr-4
Molecular Weight509.88 g/mol
Exact Mass508.12
IUPAC Namecarbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
SMILESC[Si](C)=[Zr].[CH3-].[CH3-].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C2H6Si.2CH3.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2*1-5,7-8H,9H2;1-2H3;2*1H3;/q2*-1;;2*-1;
InChIKeyKPHJESXGRPSVGL-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.88
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
CID 154493054
CID 154493054
butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
CID 173260999
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
CID 87137061
CID 173212461
CID 173212461

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium?
The IUPAC name of carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium (CID 173275196) is carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium.
What is the SMILES notation for carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium?
The canonical SMILES for carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium is C[Si](C)=[Zr].[CH3-].[CH3-].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium?
The InChIKey is KPHJESXGRPSVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C2H6Si.2CH3.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h2*1-5,7-8H,9H2;1-2H3;2*1H3;/q2*-1;;2*-1;.
What are the key properties of carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium?
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium has a molecular weight of 509.88 g/mol, XLogP of 7.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium is sourced from PubChem (CID 173275196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).