3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole

C38H58F2Si2 — CID 86016129

IUPAC3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole
SMILESCCCCCC[Si]1(CCCCCC)C2=C(c3cc(F)ccc31)[Si](CCCCCC)(CCCCCC)c1ccc(F)cc12
InChIInChI=1S/C38H58F2Si2/c1-5-9-13-17-25-41(26-18-14-10-6-2)35-23-21-31(39)29-33(35)38-37(41)34-30-32(40)22-24-36(34)42(38,27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3
InChIKeyCLTCUNGBISTCBJ-UHFFFAOYSA-N
MW609.05 g/mol
LogP11.61
Rot. Bonds20

About 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole

3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole (PubChem CID 86016129) has the molecular formula C38H58F2Si2 and a molecular weight of 609.05 g/mol. Its IUPAC name is 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole.

Molecular Properties

Compound Name3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole
PubChem CID86016129
Molecular FormulaC38H58F2Si2
Molecular Weight609.05 g/mol
Exact Mass608.40
IUPAC Name3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole
SMILESCCCCCC[Si]1(CCCCCC)C2=C(c3cc(F)ccc31)[Si](CCCCCC)(CCCCCC)c1ccc(F)cc12
InChIInChI=1S/C38H58F2Si2/c1-5-9-13-17-25-41(26-18-14-10-6-2)35-23-21-31(39)29-33(35)38-37(41)34-30-32(40)22-24-36(34)42(38,27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3
InChIKeyCLTCUNGBISTCBJ-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.05
LogP ≤ 511.61
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3,7-diiodo-5,5-dioctylbenzo[b][1]benzosilole
CID 58992262
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5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
(5-fluoro-2-methylphenyl)-octadecylboranuide
CID 137328443
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
1,4-difluorobenzene;heptan-1-amine
CID 143706023
1,4-difluoro-2-hexoxybenzene
CID 23437312
4-fluoro-2-heptylaniline
CID 67191637
5-fluoro-1-heptylindole-2,3-dione
CID 43129613

Frequently Asked Questions

What is the IUPAC name of 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole?
The IUPAC name of 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole (CID 86016129) is 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole.
What is the SMILES notation for 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole?
The canonical SMILES for 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole is CCCCCC[Si]1(CCCCCC)C2=C(c3cc(F)ccc31)[Si](CCCCCC)(CCCCCC)c1ccc(F)cc12.
What is the InChIKey of 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole?
The InChIKey is CLTCUNGBISTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58F2Si2/c1-5-9-13-17-25-41(26-18-14-10-6-2)35-23-21-31(39)29-33(35)38-37(41)34-30-32(40)22-24-36(34)42(38,27-19-15-11-7-3)28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3.
What are the key properties of 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole?
3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole has a molecular weight of 609.05 g/mol, XLogP of 11.61, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-difluoro-5,5,10,10-tetrahexyl-[1]benzosilolo[3,2-b][1]benzosilole is sourced from PubChem (CID 86016129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).