2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C169H142B4BrCl3N10O8 — CID 158433306

About 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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 158433306) has the molecular formula C169H142B4BrCl3N10O8 and a molecular weight of 2670.57 g/mol. Its IUPAC name is 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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: 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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: 158433306
• Molecular Formula: C169H142B4BrCl3N10O8
• Molecular Weight: 2670.57 g/mol
• Exact Mass: 2666.96
• IUPAC Name: 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccn4)ccc2-3)OC1(C)C.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccn3)ccc1-2.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.OB(O)c1ccccn1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccn5)ccc3-4)n2)cc1
• InChI: InChI=1S/C45H30N4.C36H32BNO2.C30H20ClN.C25H16BrCl.C15H10ClN3.C12H24B2O4.C5H6BNO2.CH4/c1-5-15-31(16-6-1)42-47-43(32-17-7-2-8-18-32)49-44(48-42)34-25-27-38-37-26-24-33(41-23-13-14-28-46-41)29-39(37)45(40(38)30-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36;1-34(2)35(3,4)40-37(39-34)28-19-21-30-29-20-18-25(33-17-11-12-22-38-33)23-31(29)36(32(30)24-28,26-13-7-5-8-14-26)27-15-9-6-10-16-27;31-24-15-17-26-25-16-14-21(29-13-7-8-18-32-29)19-27(25)30(28(26)20-24,22-9-3-1-4-10-22)23-11-5-2-6-12-23;26-19-11-13-21-22-14-12-20(27)16-24(22)25(23(21)15-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;8-6(9)5-3-1-2-4-7-5;/h1-30H;5-24H,1-4H3;1-20H;1-16H;1-10H;1-8H3;1-4,8-9H;1H4
• InChIKey: HBXPDLSFSWZFLZ-UHFFFAOYSA-N
• XLogP: 38.44
• TPSA: 224.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2670.57
LogP ≤ 5	38.44
H-Bond Donors ≤ 5	2
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 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158433306) is 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccn4)ccc2-3)OC1(C)C.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccn3)ccc1-2.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.OB(O)c1ccccn1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5ccccn5)ccc3-4)n2)cc1.

What is the InChIKey of 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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 HBXPDLSFSWZFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4.C36H32BNO2.C30H20ClN.C25H16BrCl.C15H10ClN3.C12H24B2O4.C5H6BNO2.CH4/c1-5-15-31(16-6-1)42-47-43(32-17-7-2-8-18-32)49-44(48-42)34-25-27-38-37-26-24-33(41-23-13-14-28-46-41)29-39(37)45(40(38)30-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36;1-34(2)35(3,4)40-37(39-34)28-19-21-30-29-20-18-25(33-17-11-12-22-38-33)23-31(29)36(32(30)24-28,26-13-7-5-8-14-26)27-15-9-6-10-16-27;31-24-15-17-26-25-16-14-21(29-13-7-8-18-32-29)19-27(25)30(28(26)20-24,22-9-3-1-4-10-22)23-11-5-2-6-12-23;26-19-11-13-21-22-14-12-20(27)16-24(22)25(23(21)15-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;8-6(9)5-3-1-2-4-7-5;/h1-30H;5-24H,1-4H3;1-20H;1-16H;1-10H;1-8H3;1-4,8-9H;1H4.

What are the key properties of 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-ylboronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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 2670.57 g/mol, XLogP of 38.44, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-chloro-9,9-diphenylfluorene;2-(7-chloro-9,9-diphenylfluoren-2-yl)pyridine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenyl-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]pyridine;methane;pyridin-2-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 158433306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).