dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)

C54H48Cl2SiZr-2 — CID 87216415

IUPACdichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)
SMILESCC(C)c1cc2c(-c3c4ccccc4cc4ccccc34)cccc2[cH-]1.CC(C)c1cc2c(-c3c4ccccc4cc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C26H21.C2H6Si.2ClH.Zr/c2*1-17(2)21-15-20-10-7-13-24(25(20)16-21)26-22-11-5-3-8-18(22)14-19-9-4-6-12-23(19)26;1-3-2;;;/h2*3-17H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCJAIRZHTNUCURP-UHFFFAOYSA-L
MW887.19 g/mol
LogP17.47
Rot. Bonds4

About dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)

dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene) (PubChem CID 87216415) has the molecular formula C54H48Cl2SiZr-2 and a molecular weight of 887.19 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)
PubChem CID87216415
Molecular FormulaC54H48Cl2SiZr-2
Molecular Weight887.19 g/mol
Exact Mass884.20
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)
SMILESCC(C)c1cc2c(-c3c4ccccc4cc4ccccc34)cccc2[cH-]1.CC(C)c1cc2c(-c3c4ccccc4cc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C26H21.C2H6Si.2ClH.Zr/c2*1-17(2)21-15-20-10-7-13-24(25(20)16-21)26-22-11-5-3-8-18(22)14-19-9-4-6-12-23(19)26;1-3-2;;;/h2*3-17H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCJAIRZHTNUCURP-UHFFFAOYSA-L
XLogP17.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.19
LogP ≤ 517.47
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 87709209
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CID 87216555
1-(7-chloro-2-methyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;zirconium(4+);dichloride
CID 87421410
CID 173187176
CID 173187176
bis(9-(2-ethyl-1H-inden-1-id-4-yl)anthracene);hafnium(4+);propane;dihydrochloride
CID 87960958
CID 173190182
CID 173190182
CID 173190058
CID 173190058

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene) (CID 87216415) is dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene) is CC(C)c1cc2c(-c3c4ccccc4cc4ccccc34)cccc2[cH-]1.CC(C)c1cc2c(-c3c4ccccc4cc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)?
The InChIKey is CJAIRZHTNUCURP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H21.C2H6Si.2ClH.Zr/c2*1-17(2)21-15-20-10-7-13-24(25(20)16-21)26-22-11-5-3-8-18(22)14-19-9-4-6-12-23(19)26;1-3-2;;;/h2*3-17H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)?
dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene) has a molecular weight of 887.19 g/mol, XLogP of 17.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene) is sourced from PubChem (CID 87216415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).