2-bromo-7-chloro-9,9-diphenylfluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C188H146B4Br2Cl2N10O8 — CID 161297662

About 2-bromo-7-chloro-9,9-diphenylfluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161297662) has the molecular formula C188H146B4Br2Cl2N10O8 and a molecular weight of 2947.26 g/mol. Its IUPAC name is 2-bromo-7-chloro-9,9-diphenylfluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161297662
• Molecular Formula: C188H146B4Br2Cl2N10O8
• Molecular Weight: 2947.26 g/mol
• Exact Mass: 2942.94
• IUPAC Name: 2-bromo-7-chloro-9,9-diphenylfluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C#N)cc4)ccc2-3)OC1(C)C.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.N#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(Cl)ccc2-3)cc1.N#Cc1ccc(B(O)O)cc1
• InChI: InChI=1S/C53H34N4.C38H32BNO2.C32H20ClN.C25H16BrCl.C21H14BrN3.C12H24B2O4.C7H6BNO2/c54-35-36-24-26-37(27-25-36)41-28-30-46-47-31-29-42(34-49(47)53(48(46)33-41,44-20-9-3-10-21-44)45-22-11-4-12-23-45)40-18-13-19-43(32-40)52-56-50(38-14-5-1-6-15-38)55-51(57-52)39-16-7-2-8-17-39;1-36(2)37(3,4)42-39(41-36)31-20-22-33-32-21-19-28(27-17-15-26(25-40)16-18-27)23-34(32)38(35(33)24-31,29-11-7-5-8-12-29)30-13-9-6-10-14-30;33-27-16-18-29-28-17-15-24(23-13-11-22(21-34)12-14-23)19-30(28)32(31(29)20-27,25-7-3-1-4-8-25)26-9-5-2-6-10-26;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;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;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-6-1-3-7(4-2-6)8(10)11/h1-34H;5-24H,1-4H3;1-20H;1-16H;1-14H;1-8H3;1-4,10-11H
• InChIKey: VHEOJHVGQNJPQQ-UHFFFAOYSA-N
• XLogP: 43.16
• TPSA: 268.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2947.26
LogP ≤ 5	43.16
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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161297662) is 2-bromo-7-chloro-9,9-diphenylfluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(C#N)cc4)ccc2-3)OC1(C)C.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.N#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2-3)cc1.N#Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(Cl)ccc2-3)cc1.N#Cc1ccc(B(O)O)cc1.

What is the InChIKey of 2-bromo-7-chloro-9,9-diphenylfluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is VHEOJHVGQNJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C38H32BNO2.C32H20ClN.C25H16BrCl.C21H14BrN3.C12H24B2O4.C7H6BNO2/c54-35-36-24-26-37(27-25-36)41-28-30-46-47-31-29-42(34-49(47)53(48(46)33-41,44-20-9-3-10-21-44)45-22-11-4-12-23-45)40-18-13-19-43(32-40)52-56-50(38-14-5-1-6-15-38)55-51(57-52)39-16-7-2-8-17-39;1-36(2)37(3,4)42-39(41-36)31-20-22-33-32-21-19-28(27-17-15-26(25-40)16-18-27)23-34(32)38(35(33)24-31,29-11-7-5-8-12-29)30-13-9-6-10-14-30;33-27-16-18-29-28-17-15-24(23-13-11-22(21-34)12-14-23)19-30(28)32(31(29)20-27,25-7-3-1-4-8-25)26-9-5-2-6-10-26;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;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;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-6-1-3-7(4-2-6)8(10)11/h1-34H;5-24H,1-4H3;1-20H;1-16H;1-14H;1-8H3;1-4,10-11H.

What are the key properties of 2-bromo-7-chloro-9,9-diphenylfluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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 2947.26 g/mol, XLogP of 43.16, 21 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-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;(4-cyanophenyl)boronic acid;4-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]benzonitrile;4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylfluoren-2-yl]benzonitrile;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 161297662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).