4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride

C37H42Cl2OSiZr — CID 159984185

IUPAC4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
SMILESCC[Si](CC)(CC)OCCCC(C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C37H42OSi.2ClH.Zr/c1-5-39(6-2,7-3)38-24-14-23-37(4,35-21-12-19-31-29-17-10-8-15-27(29)25-33(31)35)36-22-13-20-32-30-18-11-9-16-28(30)26-34(32)36;;;/h8-13,15-22H,5-7,14,23-26H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeySSJNGENKZKBWQG-UHFFFAOYSA-L
MW692.96 g/mol
LogP3.94
Rot. Bonds10

About 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride

4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride (PubChem CID 159984185) has the molecular formula C37H42Cl2OSiZr and a molecular weight of 692.96 g/mol. Its IUPAC name is 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride.

Molecular Properties

Compound Name4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
PubChem CID159984185
Molecular FormulaC37H42Cl2OSiZr
Molecular Weight692.96 g/mol
Exact Mass690.14
IUPAC Name4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
SMILESCC[Si](CC)(CC)OCCCC(C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C37H42OSi.2ClH.Zr/c1-5-39(6-2,7-3)38-24-14-23-37(4,35-21-12-19-31-29-17-10-8-15-27(29)25-33(31)35)36-22-13-20-32-30-18-11-9-16-28(30)26-34(32)36;;;/h8-13,15-22H,5-7,14,23-26H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeySSJNGENKZKBWQG-UHFFFAOYSA-L
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500692.96
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-di(cyclopenta-1,3-dien-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride
CID 18622685
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
N-ethyl-9H-fluoren-1-amine
CID 67613408
diethoxy-(9H-fluoren-1-yl)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 151390772
4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine
CID 152556680
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
3-cyclopenta-1,3-dien-1-yl-3-(9H-fluoren-1-yl)pentan-1-ol
CID 18622804
1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene
CID 22373058

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
The IUPAC name of 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride (CID 159984185) is 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride.
What is the SMILES notation for 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
The canonical SMILES for 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride is CC[Si](CC)(CC)OCCCC(C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
The InChIKey is SSJNGENKZKBWQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C37H42OSi.2ClH.Zr/c1-5-39(6-2,7-3)38-24-14-23-37(4,35-21-12-19-31-29-17-10-8-15-27(29)25-33(31)35)36-22-13-20-32-30-18-11-9-16-28(30)26-34(32)36;;;/h8-13,15-22H,5-7,14,23-26H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride?
4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride has a molecular weight of 692.96 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(9H-fluoren-1-yl)pentoxy-triethylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 159984185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).