[4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene

C45H25BClF15Si — CID 22239783

About [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene

[4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene (PubChem CID 22239783) has the molecular formula C45H25BClF15Si and a molecular weight of 925.02 g/mol. Its IUPAC name is [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene.

Molecular Properties

• Compound Name: [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene
• PubChem CID: 22239783
• Molecular Formula: C45H25BClF15Si
• Molecular Weight: 925.02 g/mol
• Exact Mass: 924.13
• IUPAC Name: [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene
• SMILES: C[Si](C)(Cl)c1ccc([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)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H10BClF15Si.C19H15/c1-44(2,28)8-5-3-7(4-6-8)27(9-12(29)18(35)24(41)19(36)13(9)30,10-14(31)20(37)25(42)21(38)15(10)32)11-16(33)22(39)26(43)23(40)17(11)34;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h3-6H,1-2H3;1-15H/q-1;+1
• InChIKey: WPUIQDOQQUIGPM-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.02
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene?

The IUPAC name of [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene (CID 22239783) is [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene.

What is the SMILES notation for [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene?

The canonical SMILES for [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene is C[Si](C)(Cl)c1ccc([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)cc1.c1ccc([C+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene?

The InChIKey is WPUIQDOQQUIGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10BClF15Si.C19H15/c1-44(2,28)8-5-3-7(4-6-8)27(9-12(29)18(35)24(41)19(36)13(9)30,10-14(31)20(37)25(42)21(38)15(10)32)11-16(33)22(39)26(43)23(40)17(11)34;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h3-6H,1-2H3;1-15H/q-1;+1.

What are the key properties of [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene?

[4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene has a molecular weight of 925.02 g/mol, XLogP of 10.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[chloro(dimethyl)silyl]phenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide;diphenylmethylbenzene is sourced from PubChem (CID 22239783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).