chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane

C29H44Cl2Si2 — CID 132918715

IUPACchloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane
SMILESCCCCCCC1(CCCCCC)c2cc([Si](C)(C)Cl)ccc2-c2ccc([Si](C)(C)Cl)cc21
InChIInChI=1S/C29H44Cl2Si2/c1-7-9-11-13-19-29(20-14-12-10-8-2)27-21-23(32(3,4)30)15-17-25(27)26-18-16-24(22-28(26)29)33(5,6)31/h15-18,21-22H,7-14,19-20H2,1-6H3
InChIKeyYRHHDXLGONMXDK-UHFFFAOYSA-N
MW519.75 g/mol
LogP9.20
Rot. Bonds12

About chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane

chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane (PubChem CID 132918715) has the molecular formula C29H44Cl2Si2 and a molecular weight of 519.75 g/mol. Its IUPAC name is chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane
PubChem CID132918715
Molecular FormulaC29H44Cl2Si2
Molecular Weight519.75 g/mol
Exact Mass518.24
IUPAC Namechloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane
SMILESCCCCCCC1(CCCCCC)c2cc([Si](C)(C)Cl)ccc2-c2ccc([Si](C)(C)Cl)cc21
InChIInChI=1S/C29H44Cl2Si2/c1-7-9-11-13-19-29(20-14-12-10-8-2)27-21-23(32(3,4)30)15-17-25(27)26-18-16-24(22-28(26)29)33(5,6)31/h15-18,21-22H,7-14,19-20H2,1-6H3
InChIKeyYRHHDXLGONMXDK-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.75
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
(9,9-dioctyl-7-trimethylboranuidylfluoren-2-yl)-trimethylboranuide
CID 101466054
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-[7-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-9,9-dihexylfluoren-2-yl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 142638991
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289
2-[9,9-didecyl-7-(5-methylthiophen-2-yl)fluoren-2-yl]-5-methylthiophene
CID 21350992

Frequently Asked Questions

What is the IUPAC name of chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane?
The IUPAC name of chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane (CID 132918715) is chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane.
What is the SMILES notation for chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane?
The canonical SMILES for chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane is CCCCCCC1(CCCCCC)c2cc([Si](C)(C)Cl)ccc2-c2ccc([Si](C)(C)Cl)cc21.
What is the InChIKey of chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane?
The InChIKey is YRHHDXLGONMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44Cl2Si2/c1-7-9-11-13-19-29(20-14-12-10-8-2)27-21-23(32(3,4)30)15-17-25(27)26-18-16-24(22-28(26)29)33(5,6)31/h15-18,21-22H,7-14,19-20H2,1-6H3.
What are the key properties of chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane?
chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane has a molecular weight of 519.75 g/mol, XLogP of 9.20, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane is sourced from PubChem (CID 132918715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).