carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)

C36H50O2SiZr-4 — CID 173118895

IUPACcarbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILESCc1cccc(C)c1O.Cc1cccc(C)c1O.[CH3-].[CH3-].[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2C8H10O.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-6-4-3-5-7(2)8(6)9;;;;/h2*3,6-7H,1-2,4-5H2;2*3-5,9H,1-2H3;2*1H3;1H2;/q2*-1;;;2*-1;;
InChIKeyLOXINYACDBDABS-UHFFFAOYSA-N
MW634.10 g/mol
LogP8.57
Rot. Bonds

About carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)

carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) (PubChem CID 173118895) has the molecular formula C36H50O2SiZr-4 and a molecular weight of 634.10 g/mol. Its IUPAC name is carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide).

Molecular Properties

Compound Namecarbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
PubChem CID173118895
Molecular FormulaC36H50O2SiZr-4
Molecular Weight634.10 g/mol
Exact Mass632.26
IUPAC Namecarbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILESCc1cccc(C)c1O.Cc1cccc(C)c1O.[CH3-].[CH3-].[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2C8H10O.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-6-4-3-5-7(2)8(6)9;;;;/h2*3,6-7H,1-2,4-5H2;2*3-5,9H,1-2H3;2*1H3;1H2;/q2*-1;;;2*-1;;
InChIKeyLOXINYACDBDABS-UHFFFAOYSA-N
XLogP8.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.10
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) with MolForge

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

Launch Full Analysis

Related Compounds

4,5,6,7-tetrahydro-1H-inden-1-ide
CID 11987054
hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
CID 22633752
hafnium(4+);4,5,6,7-tetrahydro-1H-inden-1-ide
CID 18172278
carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
CID 173157219
CID 154825490
CID 154825490
4,5,6,7-tetrahydro-1H-inden-1-ide;tribromotitanium(1+)
CID 87518890
methanolate;4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(3+)
CID 88655285
4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride
CID 158723786
bis(4,5,6,7-tetrahydro-1H-inden-1-ide);zirconium(2+);hydrochloride
CID 19352953
4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);tribromide
CID 162221677
methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride
CID 173133656
dichloro(propan-2-ylidene)zirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
CID 173129694

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The IUPAC name of carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) (CID 173118895) is carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide).
What is the SMILES notation for carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The canonical SMILES for carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) is Cc1cccc(C)c1O.Cc1cccc(C)c1O.[CH3-].[CH3-].[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2.
What is the InChIKey of carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The InChIKey is LOXINYACDBDABS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.2C8H10O.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-6-4-3-5-7(2)8(6)9;;;;/h2*3,6-7H,1-2,4-5H2;2*3-5,9H,1-2H3;2*1H3;1H2;/q2*-1;;;2*-1;;.
What are the key properties of carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) has a molecular weight of 634.10 g/mol, XLogP of 8.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2,6-dimethylphenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) is sourced from PubChem (CID 173118895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).