[2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane

C71H88F2Si — CID 102415333

IUPAC[2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2cccc(-c3cc(-c4c(C(C)C)cccc4C(C)C)cc(-c4c(C(C)C)cccc4C(C)C)c3)c2C[Si](F)(F)C(C)(C)C)cc(-c2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C71H88F2Si/c1-42(2)56-25-20-26-57(43(3)4)67(56)52-35-50(36-53(39-52)68-58(44(5)6)27-21-28-59(68)45(7)8)64-33-24-34-65(66(64)41-74(72,73)71(17,18)19)51-37-54(69-60(46(9)10)29-22-30-61(69)47(11)12)40-55(38-51)70-62(48(13)14)31-23-32-63(70)49(15)16/h20-40,42-49H,41H2,1-19H3
InChIKeyLUHFJVJYHFNAJH-UHFFFAOYSA-N
MW1007.57 g/mol
LogP22.94
Rot. Bonds16

About [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane

[2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane (PubChem CID 102415333) has the molecular formula C71H88F2Si and a molecular weight of 1007.57 g/mol. Its IUPAC name is [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane.

Molecular Properties

Compound Name[2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane
PubChem CID102415333
Molecular FormulaC71H88F2Si
Molecular Weight1007.57 g/mol
Exact Mass1006.66
IUPAC Name[2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(-c2cccc(-c3cc(-c4c(C(C)C)cccc4C(C)C)cc(-c4c(C(C)C)cccc4C(C)C)c3)c2C[Si](F)(F)C(C)(C)C)cc(-c2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C71H88F2Si/c1-42(2)56-25-20-26-57(43(3)4)67(56)52-35-50(36-53(39-52)68-58(44(5)6)27-21-28-59(68)45(7)8)64-33-24-34-65(66(64)41-74(72,73)71(17,18)19)51-37-54(69-60(46(9)10)29-22-30-61(69)47(11)12)40-55(38-51)70-62(48(13)14)31-23-32-63(70)49(15)16/h20-40,42-49H,41H2,1-19H3
InChIKeyLUHFJVJYHFNAJH-UHFFFAOYSA-N
XLogP22.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.57
LogP ≤ 522.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane?
The IUPAC name of [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane (CID 102415333) is [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane.
What is the SMILES notation for [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane?
The canonical SMILES for [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane is CC(C)c1cccc(C(C)C)c1-c1cc(-c2cccc(-c3cc(-c4c(C(C)C)cccc4C(C)C)cc(-c4c(C(C)C)cccc4C(C)C)c3)c2C[Si](F)(F)C(C)(C)C)cc(-c2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane?
The InChIKey is LUHFJVJYHFNAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H88F2Si/c1-42(2)56-25-20-26-57(43(3)4)67(56)52-35-50(36-53(39-52)68-58(44(5)6)27-21-28-59(68)45(7)8)64-33-24-34-65(66(64)41-74(72,73)71(17,18)19)51-37-54(69-60(46(9)10)29-22-30-61(69)47(11)12)40-55(38-51)70-62(48(13)14)31-23-32-63(70)49(15)16/h20-40,42-49H,41H2,1-19H3.
What are the key properties of [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane?
[2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane has a molecular weight of 1007.57 g/mol, XLogP of 22.94, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[3,5-bis[2,6-di(propan-2-yl)phenyl]phenyl]phenyl]methyl-tert-butyl-difluorosilane is sourced from PubChem (CID 102415333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).