[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid

C115H85B5N8O10 — CID 158701629

About [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid

[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid (PubChem CID 158701629) has the molecular formula C115H85B5N8O10 and a molecular weight of 1793.05 g/mol. Its IUPAC name is [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid.

Molecular Properties

• Compound Name: [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid
• PubChem CID: 158701629
• Molecular Formula: C115H85B5N8O10
• Molecular Weight: 1793.05 g/mol
• Exact Mass: 1792.69
• IUPAC Name: [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid
• SMILES: OB(O)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2)cc1.OB(O)c1cccc2c1c1ccccc1n2-c1ccc2ccccc2c1.OB(O)c1cccc2c1c1ccccc1n2-c1cccc(-c2ccccc2)c1.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1.OB(O)c1cccc2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C27H19BN4O2.2C24H18BNO2.C22H16BNO2.C18H14BNO2/c33-28(34)21-15-9-17-23-24(21)20-14-7-8-16-22(20)32(23)27-30-25(18-10-3-1-4-11-18)29-26(31-27)19-12-5-2-6-13-19;27-25(28)21-13-7-15-23-24(21)20-12-4-5-14-22(20)26(23)19-11-6-10-18(16-19)17-8-2-1-3-9-17;27-25(28)21-10-6-12-23-24(21)20-9-4-5-11-22(20)26(23)19-15-13-18(14-16-19)17-7-2-1-3-8-17;25-23(26)19-9-5-11-21-22(19)18-8-3-4-10-20(18)24(21)17-13-12-15-6-1-2-7-16(15)14-17;21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13/h1-17,33-34H;2*1-16,27-28H;1-14,25-26H;1-12,21-22H
• InChIKey: IHPPNEDOCSTJBX-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 265.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1793.05
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid?

The IUPAC name of [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid (CID 158701629) is [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid.

What is the SMILES notation for [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid?

The canonical SMILES for [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid is OB(O)c1cccc2c1c1ccccc1n2-c1ccc(-c2ccccc2)cc1.OB(O)c1cccc2c1c1ccccc1n2-c1ccc2ccccc2c1.OB(O)c1cccc2c1c1ccccc1n2-c1cccc(-c2ccccc2)c1.OB(O)c1cccc2c1c1ccccc1n2-c1ccccc1.OB(O)c1cccc2c1c1ccccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid?

The InChIKey is IHPPNEDOCSTJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BN4O2.2C24H18BNO2.C22H16BNO2.C18H14BNO2/c33-28(34)21-15-9-17-23-24(21)20-14-7-8-16-22(20)32(23)27-30-25(18-10-3-1-4-11-18)29-26(31-27)19-12-5-2-6-13-19;27-25(28)21-13-7-15-23-24(21)20-12-4-5-14-22(20)26(23)19-11-6-10-18(16-19)17-8-2-1-3-9-17;27-25(28)21-10-6-12-23-24(21)20-9-4-5-11-22(20)26(23)19-15-13-18(14-16-19)17-7-2-1-3-8-17;25-23(26)19-9-5-11-21-22(19)18-8-3-4-10-20(18)24(21)17-13-12-15-6-1-2-7-16(15)14-17;21-19(22)15-10-6-12-17-18(15)14-9-4-5-11-16(14)20(17)13-7-2-1-3-8-13/h1-17,33-34H;2*1-16,27-28H;1-14,25-26H;1-12,21-22H.

What are the key properties of [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid?

[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid has a molecular weight of 1793.05 g/mol, XLogP of 18.32, 14 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]boronic acid;(9-naphthalen-2-ylcarbazol-4-yl)boronic acid;(9-phenylcarbazol-4-yl)boronic acid;[9-(3-phenylphenyl)carbazol-4-yl]boronic acid;[9-(4-phenylphenyl)carbazol-4-yl]boronic acid is sourced from PubChem (CID 158701629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).