N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C132H119B4Br3IN3O9 — CID 159369170

About N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159369170) has the molecular formula C132H119B4Br3IN3O9 and a molecular weight of 2301.28 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159369170
• Molecular Formula: C132H119B4Br3IN3O9
• Molecular Weight: 2301.28 g/mol
• Exact Mass: 2297.59
• IUPAC Name: N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1.Brc1cccc(I)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC1(C)C.OB(O)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C36H34BNO2.C36H26BrN.C30H22BrN.C12H24B2O4.C12H9BO3.C6H4BrI/c1-35(2)36(3,4)40-37(39-35)31-19-25-34(26-20-31)38(32-21-15-29(16-22-32)27-11-7-5-8-12-27)33-23-17-30(18-24-33)28-13-9-6-10-14-28;37-33-13-7-12-32(26-33)31-18-24-36(25-19-31)38(34-20-14-29(15-21-34)27-8-3-1-4-9-27)35-22-16-30(17-23-35)28-10-5-2-6-11-28;31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;7-5-2-1-3-6(8)4-5/h5-26H,1-4H3;1-26H;1-22H;1-8H3;1-7,14-15H;1-4H
• InChIKey: LJNDFRWPJQIVDT-UHFFFAOYSA-N
• XLogP: 35.53
• TPSA: 118.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.28
LogP ≤ 5	35.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159369170) is N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.Brc1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c1.Brc1cccc(I)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC1(C)C.OB(O)c1cccc2c1oc1ccccc12.

What is the InChIKey of N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is LJNDFRWPJQIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34BNO2.C36H26BrN.C30H22BrN.C12H24B2O4.C12H9BO3.C6H4BrI/c1-35(2)36(3,4)40-37(39-35)31-19-25-34(26-20-31)38(32-21-15-29(16-22-32)27-11-7-5-8-12-27)33-23-17-30(18-24-33)28-13-9-6-10-14-28;37-33-13-7-12-32(26-33)31-18-24-36(25-19-31)38(34-20-14-29(15-21-34)27-8-3-1-4-9-27)35-22-16-30(17-23-35)28-10-5-2-6-11-28;31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10;7-5-2-1-3-6(8)4-5/h5-26H,1-4H3;1-26H;1-22H;1-8H3;1-7,14-15H;1-4H.

What are the key properties of N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2301.28 g/mol, XLogP of 35.53, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;1-bromo-3-iodobenzene;N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;dibenzofuran-4-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159369170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).