[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C84H77BF21IN4Si2 — CID 139046349

About [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139046349) has the molecular formula C84H77BF21IN4Si2 and a molecular weight of 1735.41 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 139046349
• Molecular Formula: C84H77BF21IN4Si2
• Molecular Weight: 1735.41 g/mol
• Exact Mass: 1734.45
• IUPAC Name: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• SMILES: CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1/[Si-]=[Si](\I)c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1-c1c(C(C)C)cccc1C(C)C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1ccccc1
• InChI: InChI=1S/C54H72IN4Si2.C24BF20.C6H5F/c1-33(2)41-21-17-22-42(34(3)4)49(41)56-29-30-57(50-43(35(5)6)23-18-24-44(50)36(7)8)53(56)60-61(55)54-58(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-59(54)52-47(39(13)14)27-20-28-48(52)40(15)16;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-6-4-2-1-3-5-6/h17-40H,1-16H3;;1-5H/q+1;-1
• InChIKey: BEBUEXWRVSUPOK-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 17.62 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1735.41
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139046349) is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1/[Si-]=[Si](\I)c1n(-c2c(C(C)C)cccc2C(C)C)cc[n+]1-c1c(C(C)C)cccc1C(C)C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1ccccc1.

What is the InChIKey of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The InChIKey is BEBUEXWRVSUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H72IN4Si2.C24BF20.C6H5F/c1-33(2)41-21-17-22-42(34(3)4)49(41)56-29-30-57(50-43(35(5)6)23-18-24-44(50)36(7)8)53(56)60-61(55)54-58(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-59(54)52-47(39(13)14)27-20-28-48(52)40(15)16;26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;7-6-4-2-1-3-5-6/h17-40H,1-16H3;;1-5H/q+1;-1;.

What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 1735.41 g/mol, XLogP of 20.64, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-iodosilylidene]silanide;fluorobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139046349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).