tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane

C48F36Si — CID 59336448

About tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane

tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane (PubChem CID 59336448) has the molecular formula C48F36Si and a molecular weight of 1288.54 g/mol. Its IUPAC name is tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane.

Molecular Properties

• Compound Name: tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
• PubChem CID: 59336448
• Molecular Formula: C48F36Si
• Molecular Weight: 1288.54 g/mol
• Exact Mass: 1287.92
• IUPAC Name: tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
• SMILES: Fc1c(F)c(F)c(-c2c(F)c(F)c([Si](c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)(c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C48F36Si/c49-9-1(10(50)26(66)33(73)25(9)65)5-17(57)37(77)45(38(78)18(5)58)85(46-39(79)19(59)6(20(60)40(46)80)2-11(51)27(67)34(74)28(68)12(2)52,47-41(81)21(61)7(22(62)42(47)82)3-13(53)29(69)35(75)30(70)14(3)54)48-43(83)23(63)8(24(64)44(48)84)4-15(55)31(71)36(76)32(72)16(4)56
• InChIKey: WUFMCARQOPWHJE-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1288.54
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?

The IUPAC name of tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane (CID 59336448) is tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane.

What is the SMILES notation for tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?

The canonical SMILES for tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane is Fc1c(F)c(F)c(-c2c(F)c(F)c([Si](c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)(c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c3c(F)c(F)c(-c4c(F)c(F)c(F)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F.

What is the InChIKey of tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?

The InChIKey is WUFMCARQOPWHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48F36Si/c49-9-1(10(50)26(66)33(73)25(9)65)5-17(57)37(77)45(38(78)18(5)58)85(46-39(79)19(59)6(20(60)40(46)80)2-11(51)27(67)34(74)28(68)12(2)52,47-41(81)21(61)7(22(62)42(47)82)3-13(53)29(69)35(75)30(70)14(3)54)48-43(83)23(63)8(24(64)44(48)84)4-15(55)31(71)36(76)32(72)16(4)56.

What are the key properties of tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?

tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane has a molecular weight of 1288.54 g/mol, XLogP of 14.74, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane is sourced from PubChem (CID 59336448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).