bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane

C51H73FSi2 — CID 102264697

IUPACbis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](c2ccc(F)cc2)=[Si](c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C51H73FSi2/c1-29(2)38-23-43(32(7)8)49(44(24-38)33(9)10)53(42-21-19-41(52)20-22-42)54(50-45(34(11)12)25-39(30(3)4)26-46(50)35(13)14)51-47(36(15)16)27-40(31(5)6)28-48(51)37(17)18/h19-37H,1-18H3
InChIKeyPZKYWFQONUIUQA-UHFFFAOYSA-N
MW761.31 g/mol
LogP12.93
Rot. Bonds13

About bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane

bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane (PubChem CID 102264697) has the molecular formula C51H73FSi2 and a molecular weight of 761.31 g/mol. Its IUPAC name is bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Namebis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane
PubChem CID102264697
Molecular FormulaC51H73FSi2
Molecular Weight761.31 g/mol
Exact Mass760.52
IUPAC Namebis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane
SMILESCC(C)c1cc(C(C)C)c([Si](c2ccc(F)cc2)=[Si](c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C51H73FSi2/c1-29(2)38-23-43(32(7)8)49(44(24-38)33(9)10)53(42-21-19-41(52)20-22-42)54(50-45(34(11)12)25-39(30(3)4)26-46(50)35(13)14)51-47(36(15)16)27-40(31(5)6)28-48(51)37(17)18/h19-37H,1-18H3
InChIKeyPZKYWFQONUIUQA-UHFFFAOYSA-N
XLogP12.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.31
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
2-Fluoro-4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl
CID 3093741
4''-(trans-4-butylcyclohexyl)-2'-fluoro-4-propyl-1,1':4',1''-Terphenyl
CID 57832111
4''-Ethyl-2'-fluoro-4-(4-pentylcyclohexyl)-1,1':4',1''-terphenyl
CID 117713229
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
5cHF3cHB
CID 13955133
2-Fluoro-4'-(trans-4-pentylcyclohexyl)-4-(trans-4-propylcyclohexyl)-1,1'-biphenyl
CID 14985148
2'-Fluoro-4''-(4-pentylcyclohexyl)-4-propyl-1,1':4',1''-terphenyl
CID 15131436
2'-Fluoro-4-propyl-4''-(4-propylcyclohexyl)-1,1':4',1''-terphenyl
CID 15745099
4-Ethyl-2'-fluoro-4''-(4-pentylcyclohexyl)-1,1':4',1''-terphenyl
CID 57832109
2'-Fluoro-4''-propyl-4-(4-propylcyclohexyl)-1,1':4',1''-terphenyl
CID 90464381
2'-Fluoro-4-(4-pentylcyclohexyl)-4''-propyl-1,1':4',1''-terphenyl
CID 117713255

Frequently Asked Questions

What is the IUPAC name of bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
The IUPAC name of bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane (CID 102264697) is bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane.
What is the SMILES notation for bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
The canonical SMILES for bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane is CC(C)c1cc(C(C)C)c([Si](c2ccc(F)cc2)=[Si](c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
The InChIKey is PZKYWFQONUIUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H73FSi2/c1-29(2)38-23-43(32(7)8)49(44(24-38)33(9)10)53(42-21-19-41(52)20-22-42)54(50-45(34(11)12)25-39(30(3)4)26-46(50)35(13)14)51-47(36(15)16)27-40(31(5)6)28-48(51)37(17)18/h19-37H,1-18H3.
What are the key properties of bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane?
bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane has a molecular weight of 761.31 g/mol, XLogP of 12.93, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,4,6-tri(propan-2-yl)phenyl]silylidene-(4-fluorophenyl)-[2,4,6-tri(propan-2-yl)phenyl]silane is sourced from PubChem (CID 102264697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).