2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide

C139H92B2BrCl2IN9O4- — CID 159628008

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide (PubChem CID 159628008) has the molecular formula C139H92B2BrCl2IN9O4- and a molecular weight of 2251.66 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide
• PubChem CID: 159628008
• Molecular Formula: C139H92B2BrCl2IN9O4-
• Molecular Weight: 2251.66 g/mol
• Exact Mass: 2248.51
• IUPAC Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide
• SMILES: Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.OB(O)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccc3ccccc3c1-2.OB(O)c1cccc(Cl)c1.[I-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccc7ccccc7c5-6)c4)c3)n2)cc1
• InChI: InChI=1S/C56H35N3.C29H19BO2.C27H18ClN3.C21H14BrN3.C6H6BClO2.HI/c1-3-16-37(17-4-1)53-57-54(38-18-5-2-6-19-38)59-55(58-53)43-23-14-22-41(34-43)39-20-13-21-40(33-39)42-29-31-47-51(35-42)56(50-32-30-36-15-7-8-24-44(36)52(47)50)48-27-11-9-25-45(48)46-26-10-12-28-49(46)56;31-30(32)19-14-15-23-27(17-19)29(26-16-13-18-7-1-2-8-20(18)28(23)26)24-11-5-3-9-21(24)22-10-4-6-12-25(22)29;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;8-6-3-1-2-5(4-6)7(9)10;/h1-35H;1-17,31-32H;1-18H;1-14H;1-4,9-10H;1H/p-1
• InChIKey: WKBOJWRNXOAHDD-UHFFFAOYSA-M
• XLogP: 28.42
• TPSA: 196.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.66
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide?

The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide (CID 159628008) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide.

What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide?

The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Clc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.OB(O)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccc3ccccc3c1-2.OB(O)c1cccc(Cl)c1.[I-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccc7ccccc7c5-6)c4)c3)n2)cc1.

What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide?

The InChIKey is WKBOJWRNXOAHDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C56H35N3.C29H19BO2.C27H18ClN3.C21H14BrN3.C6H6BClO2.HI/c1-3-16-37(17-4-1)53-57-54(38-18-5-2-6-19-38)59-55(58-53)43-23-14-22-41(34-43)39-20-13-21-40(33-39)42-29-31-47-51(35-42)56(50-32-30-36-15-7-8-24-44(36)52(47)50)48-27-11-9-25-45(48)46-26-10-12-28-49(46)56;31-30(32)19-14-15-23-27(17-19)29(26-16-13-18-7-1-2-8-20(18)28(23)26)24-11-5-3-9-21(24)22-10-4-6-12-25(22)29;28-24-16-8-14-22(18-24)21-13-7-15-23(17-21)27-30-25(19-9-3-1-4-10-19)29-26(31-27)20-11-5-2-6-12-20;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;8-6-3-1-2-5(4-6)7(9)10;/h1-35H;1-17,31-32H;1-18H;1-14H;1-4,9-10H;1H/p-1.

What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide?

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide has a molecular weight of 2251.66 g/mol, XLogP of 28.42, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;(3-chlorophenyl)boronic acid;2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylphenyl)phenyl]-1,3,5-triazine;spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylboronic acid;iodide is sourced from PubChem (CID 159628008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).