[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane

C170H160B4N8OS — CID 159595925

About [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane

[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane (PubChem CID 159595925) has the molecular formula C170H160B4N8OS and a molecular weight of 2406.52 g/mol. Its IUPAC name is [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane.

Molecular Properties

• Compound Name: [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane
• PubChem CID: 159595925
• Molecular Formula: C170H160B4N8OS
• Molecular Weight: 2406.52 g/mol
• Exact Mass: 2405.28
• IUPAC Name: [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane
• SMILES: Cc1cc(-c2ccc3oc4ccc(-c5c(C)cc(C)c(B(c6c(C)cc(C)c(-c7cccnc7)c6C)c6c(C)cc(C)c(-c7cccnc7)c6C)c5C)cc4c3c2)cc(C)c1B(c1c(C)cc(C)c(-c2cccnc2)c1C)c1c(C)cc(C)c(-c2cccnc2)c1C.Cc1cc(-c2ccc3sc4ccc(-c5c(C)cc(C)c(B(c6c(C)cc(C)c(-c7cccnc7)c6C)c6c(C)cc(C)c(-c7cccnc7)c6C)c5C)cc4c3c2)cc(C)c1B(c1c(C)cc(C)c(-c2cccnc2)c1C)c1c(C)cc(C)c(-c2cccnc2)c1C
• InChI: InChI=1S/C85H80B2N4O.C85H80B2N4S/c2*1-47-34-54(8)83(87(84-55(9)37-50(4)78(62(84)16)68-24-20-32-90-45-68)85-56(10)38-51(5)79(63(85)17)69-25-21-33-91-46-69)59(13)75(47)65-27-29-74-72(42-65)71-41-64(26-28-73(71)92-74)70-39-57(11)80(58(12)40-70)86(81-52(6)35-48(2)76(60(81)14)66-22-18-30-88-43-66)82-53(7)36-49(3)77(61(82)15)67-23-19-31-89-44-67/h2*18-46H,1-17H3
• InChIKey: MKVLHFAXQNJKKI-UHFFFAOYSA-N
• XLogP: 35.36
• TPSA: 116.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2406.52
LogP ≤ 5	35.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane?

The IUPAC name of [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane (CID 159595925) is [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane.

What is the SMILES notation for [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane?

The canonical SMILES for [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane is Cc1cc(-c2ccc3oc4ccc(-c5c(C)cc(C)c(B(c6c(C)cc(C)c(-c7cccnc7)c6C)c6c(C)cc(C)c(-c7cccnc7)c6C)c5C)cc4c3c2)cc(C)c1B(c1c(C)cc(C)c(-c2cccnc2)c1C)c1c(C)cc(C)c(-c2cccnc2)c1C.Cc1cc(-c2ccc3sc4ccc(-c5c(C)cc(C)c(B(c6c(C)cc(C)c(-c7cccnc7)c6C)c6c(C)cc(C)c(-c7cccnc7)c6C)c5C)cc4c3c2)cc(C)c1B(c1c(C)cc(C)c(-c2cccnc2)c1C)c1c(C)cc(C)c(-c2cccnc2)c1C.

What is the InChIKey of [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane?

The InChIKey is MKVLHFAXQNJKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H80B2N4O.C85H80B2N4S/c2*1-47-34-54(8)83(87(84-55(9)37-50(4)78(62(84)16)68-24-20-32-90-45-68)85-56(10)38-51(5)79(63(85)17)69-25-21-33-91-46-69)59(13)75(47)65-27-29-74-72(42-65)71-41-64(26-28-73(71)92-74)70-39-57(11)80(58(12)40-70)86(81-52(6)35-48(2)76(60(81)14)66-22-18-30-88-43-66)82-53(7)36-49(3)77(61(82)15)67-23-19-31-89-44-67/h2*18-46H,1-17H3.

What are the key properties of [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane?

[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane has a molecular weight of 2406.52 g/mol, XLogP of 35.36, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzofuran-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane;[3-[8-[4-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)boranyl-3,5-dimethylphenyl]dibenzothiophen-2-yl]-2,4,6-trimethylphenyl]-bis(2,4,6-trimethyl-3-pyridin-3-ylphenyl)borane is sourced from PubChem (CID 159595925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).