dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol

C31H30Cl2OSiZr-2 — CID 87998033

IUPACdichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol
SMILESC[Si](C)=[Zr](Cl)Cl.OCCCc1cccc2c1[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C16H15O.C13H9.C2H6Si.2ClH.Zr/c17-10-4-7-12-6-3-9-15-14-8-2-1-5-13(14)11-16(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h1-3,5-6,8-9,11,17H,4,7,10H2;1-9H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyURFSBHDUXNOBLC-UHFFFAOYSA-L
MW608.80 g/mol
LogP9.51
Rot. Bonds3

About dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol

dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol (PubChem CID 87998033) has the molecular formula C31H30Cl2OSiZr-2 and a molecular weight of 608.80 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol.

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol
PubChem CID87998033
Molecular FormulaC31H30Cl2OSiZr-2
Molecular Weight608.80 g/mol
Exact Mass606.05
IUPAC Namedichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol
SMILESC[Si](C)=[Zr](Cl)Cl.OCCCc1cccc2c1[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C16H15O.C13H9.C2H6Si.2ClH.Zr/c17-10-4-7-12-6-3-9-15-14-8-2-1-5-13(14)11-16(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h1-3,5-6,8-9,11,17H,4,7,10H2;1-9H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyURFSBHDUXNOBLC-UHFFFAOYSA-L
XLogP9.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.80
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-naphthalen-1-ylpropan-1-ol
CID 14711518
dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
CID 87993803
dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
CID 87993746
dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
CID 87673225
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
CID 87410533
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
3-(5-sulfanylnaphthalen-1-yl)propan-1-ol
CID 68643622
3-(3-chloro-1-methylindol-7-yl)propan-1-ol
CID 117321059
dichloro(dimethylsilylidene)zirconium;2-methyl-4-phenyl-1H-inden-1-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 154075918
bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
cyclopenta-1,3-diene;dichloro(dimethylsilylidene)hafnium;9H-fluoren-9-ide
CID 174047741
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol (CID 87998033) is dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol.
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol is C[Si](C)=[Zr](Cl)Cl.OCCCc1cccc2c1[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol?
The InChIKey is URFSBHDUXNOBLC-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H15O.C13H9.C2H6Si.2ClH.Zr/c17-10-4-7-12-6-3-9-15-14-8-2-1-5-13(14)11-16(12)15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2;;;/h1-3,5-6,8-9,11,17H,4,7,10H2;1-9H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol?
dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol has a molecular weight of 608.80 g/mol, XLogP of 9.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;9H-fluoren-9-ide;3-(9H-fluoren-9-id-1-yl)propan-1-ol is sourced from PubChem (CID 87998033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).