bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane

C68H56F24Si5 — CID 58131215

IUPACbis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane
SMILESC[Si](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)-c1cc([Si](C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc([Si](C)(C)c3cc([Si](C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc4c3Cc3ccc([Si](C)(C)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc3-4)c1C2
InChIInChI=1S/C68H56F24Si5/c1-93(2,47-21-37(61(69,70)71)17-38(22-47)62(72,73)74)45-13-11-35-15-57-55(53(35)29-45)31-51(95(5,6)49-25-41(65(81,82)83)19-42(26-49)66(84,85)86)33-59(57)97(9,10)60-34-52(96(7,8)50-27-43(67(87,88)89)20-44(28-50)68(90,91)92)32-56-54-30-46(14-12-36(54)16-58(56)60)94(3,4)48-23-39(63(75,76)77)18-40(24-48)64(78,79)80/h11-14,17-34H,15-16H2,1-10H3
InChIKeyCVAJYFULBZMGQJ-UHFFFAOYSA-N
MW1469.58 g/mol
LogP17.09
Rot. Bonds10

About bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane

bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane (PubChem CID 58131215) has the molecular formula C68H56F24Si5 and a molecular weight of 1469.58 g/mol. Its IUPAC name is bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane
PubChem CID58131215
Molecular FormulaC68H56F24Si5
Molecular Weight1469.58 g/mol
Exact Mass1468.28
IUPAC Namebis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane
SMILESC[Si](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)-c1cc([Si](C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc([Si](C)(C)c3cc([Si](C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc4c3Cc3ccc([Si](C)(C)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc3-4)c1C2
InChIInChI=1S/C68H56F24Si5/c1-93(2,47-21-37(61(69,70)71)17-38(22-47)62(72,73)74)45-13-11-35-15-57-55(53(35)29-45)31-51(95(5,6)49-25-41(65(81,82)83)19-42(26-49)66(84,85)86)33-59(57)97(9,10)60-34-52(96(7,8)50-27-43(67(87,88)89)20-44(28-50)68(90,91)92)32-56-54-30-46(14-12-36(54)16-58(56)60)94(3,4)48-23-39(63(75,76)77)18-40(24-48)64(78,79)80/h11-14,17-34H,15-16H2,1-10H3
InChIKeyCVAJYFULBZMGQJ-UHFFFAOYSA-N
XLogP17.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001469.58
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane?
The IUPAC name of bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane (CID 58131215) is bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane.
What is the SMILES notation for bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane?
The canonical SMILES for bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane is C[Si](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)-c1cc([Si](C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc([Si](C)(C)c3cc([Si](C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc4c3Cc3ccc([Si](C)(C)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc3-4)c1C2.
What is the InChIKey of bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane?
The InChIKey is CVAJYFULBZMGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56F24Si5/c1-93(2,47-21-37(61(69,70)71)17-38(22-47)62(72,73)74)45-13-11-35-15-57-55(53(35)29-45)31-51(95(5,6)49-25-41(65(81,82)83)19-42(26-49)66(84,85)86)33-59(57)97(9,10)60-34-52(96(7,8)50-27-43(67(87,88)89)20-44(28-50)68(90,91)92)32-56-54-30-46(14-12-36(54)16-58(56)60)94(3,4)48-23-39(63(75,76)77)18-40(24-48)64(78,79)80/h11-14,17-34H,15-16H2,1-10H3.
What are the key properties of bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane?
bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane has a molecular weight of 1469.58 g/mol, XLogP of 17.09, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,6-bis[[3,5-bis(trifluoromethyl)phenyl]-dimethylsilyl]-9H-fluoren-1-yl]-dimethylsilane is sourced from PubChem (CID 58131215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).