3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene

C80H60B2BrCl3N6O4 — CID 161455369

About 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene

3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene (PubChem CID 161455369) has the molecular formula C80H60B2BrCl3N6O4 and a molecular weight of 1377.28 g/mol. Its IUPAC name is 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene.

Molecular Properties

• Compound Name: 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene
• PubChem CID: 161455369
• Molecular Formula: C80H60B2BrCl3N6O4
• Molecular Weight: 1377.28 g/mol
• Exact Mass: 1374.31
• IUPAC Name: 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene
• SMILES: Brc1ccc2c(c1)-c1ccccc1C2.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.OB(O)c1ccc(Cl)cc1.OB(O)c1ccccc1.c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1
• InChI: InChI=1S/C21H14ClN3.C19H14.C15H10ClN3.C13H9Br.C6H6BClO2.C6H7BO2/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16;1-2-6-14(7-3-1)15-10-11-17-12-16-8-4-5-9-18(16)19(17)13-15;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-14H;1-11,13H,12H2;1-10H;1-6,8H,7H2;1-4,9-10H;1-5,8-9H
• InChIKey: WBBVJVVCLHYWOZ-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 158.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.28
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	4
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-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene?

The IUPAC name of 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene (CID 161455369) is 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene.

What is the SMILES notation for 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene?

The canonical SMILES for 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene is Brc1ccc2c(c1)-c1ccccc1C2.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.OB(O)c1ccc(Cl)cc1.OB(O)c1ccccc1.c1ccc(-c2ccc3c(c2)-c2ccccc2C3)cc1.

What is the InChIKey of 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene?

The InChIKey is WBBVJVVCLHYWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3.C19H14.C15H10ClN3.C13H9Br.C6H6BClO2.C6H7BO2/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16;1-2-6-14(7-3-1)15-10-11-17-12-16-8-4-5-9-18(16)19(17)13-15;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-14H;1-11,13H,12H2;1-10H;1-6,8H,7H2;1-4,9-10H;1-5,8-9H.

What are the key properties of 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene?

3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene has a molecular weight of 1377.28 g/mol, XLogP of 17.72, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-9H-fluorene;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;phenylboronic acid;3-phenyl-9H-fluorene is sourced from PubChem (CID 161455369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).