tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride

C80H92Cl2Si4Ti2-2 — CID 18512956

IUPACtetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride
SMILESCCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.[Cl-].[Cl-].[Ti+2].[Ti+2]
InChIInChI=1S/4C20H23Si.2ClH.2Ti/c4*1-2-3-13-21(14-8-15-21)20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20;;;;/h4*4-7,9-11,20H,2-3,8,13-15H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyQEZHAPKLBKKQMC-UHFFFAOYSA-L
MW1332.60 g/mol
LogP17.17
Rot. Bonds16

About tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride

tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride (PubChem CID 18512956) has the molecular formula C80H92Cl2Si4Ti2-2 and a molecular weight of 1332.60 g/mol. Its IUPAC name is tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride
PubChem CID18512956
Molecular FormulaC80H92Cl2Si4Ti2-2
Molecular Weight1332.60 g/mol
Exact Mass1330.46
IUPAC Nametetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride
SMILESCCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.[Cl-].[Cl-].[Ti+2].[Ti+2]
InChIInChI=1S/4C20H23Si.2ClH.2Ti/c4*1-2-3-13-21(14-8-15-21)20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20;;;;/h4*4-7,9-11,20H,2-3,8,13-15H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyQEZHAPKLBKKQMC-UHFFFAOYSA-L
XLogP17.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001332.60
LogP ≤ 517.17
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-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)
CID 18513112
1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane;hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
CID 18513078
carbanide;hafnium(4+);bis(9-propyl-1,9-dihydrofluoren-1-ide)
CID 156634644
1-(9H-fluoren-9-yl)-1-methylsiletane
CID 18512845
1,1-bis(9H-fluoren-9-yl)siletane
CID 102265958
1,9-dihydrofluoren-1-id-9-yl(trimethyl)silane;titanium(4+);trichloride
CID 18766762
1-(9H-fluoren-9-yl)-1-methylsilinane
CID 102018877
1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride
CID 173384978
9-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;zirconium(4+);dichloride
CID 23208089
cobalt(2+);bis(1,9-dihydrofluoren-1-id-9-yl(trimethyl)silane)
CID 22297094
1,9-dihydrofluoren-1-id-9-yl-methyl-octadecyl-phenylsilane;trichlorotitanium(1+)
CID 88593065
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride
CID 23174972

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride?
The IUPAC name of tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride (CID 18512956) is tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride.
What is the SMILES notation for tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride?
The canonical SMILES for tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride is CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.CCCC[Si]1(C2c3[c-]cccc3-c3ccccc32)CCC1.[Cl-].[Cl-].[Ti+2].[Ti+2].
What is the InChIKey of tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride?
The InChIKey is QEZHAPKLBKKQMC-UHFFFAOYSA-L. The full InChI is InChI=1S/4C20H23Si.2ClH.2Ti/c4*1-2-3-13-21(14-8-15-21)20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20;;;;/h4*4-7,9-11,20H,2-3,8,13-15H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride?
tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride has a molecular weight of 1332.60 g/mol, XLogP of 17.17, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride is sourced from PubChem (CID 18512956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).