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

C190H148B4BrCl3N8O8 — CID 158673050

About 2-bromo-7-chloro-9,9-diphenylfluorene;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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 158673050) has the molecular formula C190H148B4BrCl3N8O8 and a molecular weight of 2900.83 g/mol. Its IUPAC name is 2-bromo-7-chloro-9,9-diphenylfluorene;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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: 158673050
• Molecular Formula: C190H148B4BrCl3N8O8
• Molecular Weight: 2900.83 g/mol
• Exact Mass: 2897.00
• IUPAC Name: 2-bromo-7-chloro-9,9-diphenylfluorene;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cccc(C#N)c4)ccc2-3)OC1(C)C.Clc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.N#Cc1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)ccc2-3)c1.N#Cc1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(Cl)ccc2-3)c1.N#Cc1cccc(B(O)O)c1
• InChI: InChI=1S/C54H35N3.C38H32BNO2.C32H20ClN.C25H16BrCl.C22H15ClN2.C12H24B2O4.C7H6BNO2/c55-36-37-14-13-19-42(32-37)43-28-30-47-48-31-29-44(34-50(48)54(49(47)33-43,45-20-9-3-10-21-45)46-22-11-4-12-23-46)52-35-51(56-53(57-52)41-17-7-2-8-18-41)40-26-24-39(25-27-40)38-15-5-1-6-16-38;1-36(2)37(3,4)42-39(41-36)31-19-21-33-32-20-18-28(27-13-11-12-26(22-27)25-40)23-34(32)38(35(33)24-31,29-14-7-5-8-15-29)30-16-9-6-10-17-30;33-27-15-17-29-28-16-14-24(23-9-7-8-22(18-23)21-34)19-30(28)32(31(29)20-27,25-10-3-1-4-11-25)26-12-5-2-6-13-26;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;23-21-15-20(24-22(25-21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-6-2-1-3-7(4-6)8(10)11/h1-35H;5-24H,1-4H3;1-20H;1-16H;1-15H;1-8H3;1-4,10-11H
• InChIKey: IEEKHCSMNYCCEW-UHFFFAOYSA-N
• XLogP: 44.26
• TPSA: 242.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2900.83
LogP ≤ 5	44.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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 158673050) is 2-bromo-7-chloro-9,9-diphenylfluorene;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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 CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cccc(C#N)c4)ccc2-3)OC1(C)C.Clc1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)n1.Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2.N#Cc1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)ccc2-3)c1.N#Cc1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(Cl)ccc2-3)c1.N#Cc1cccc(B(O)O)c1.

What is the InChIKey of 2-bromo-7-chloro-9,9-diphenylfluorene;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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 IEEKHCSMNYCCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C38H32BNO2.C32H20ClN.C25H16BrCl.C22H15ClN2.C12H24B2O4.C7H6BNO2/c55-36-37-14-13-19-42(32-37)43-28-30-47-48-31-29-44(34-50(48)54(49(47)33-43,45-20-9-3-10-21-45)46-22-11-4-12-23-46)52-35-51(56-53(57-52)41-17-7-2-8-18-41)40-26-24-39(25-27-40)38-15-5-1-6-16-38;1-36(2)37(3,4)42-39(41-36)31-19-21-33-32-20-18-28(27-13-11-12-26(22-27)25-40)23-34(32)38(35(33)24-31,29-14-7-5-8-15-29)30-16-9-6-10-17-30;33-27-15-17-29-28-16-14-24(23-9-7-8-22(18-23)21-34)19-30(28)32(31(29)20-27,25-10-3-1-4-11-25)26-12-5-2-6-13-26;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;23-21-15-20(24-22(25-21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-5-6-2-1-3-7(4-6)8(10)11/h1-35H;5-24H,1-4H3;1-20H;1-16H;1-15H;1-8H3;1-4,10-11H.

What are the key properties of 2-bromo-7-chloro-9,9-diphenylfluorene;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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 2900.83 g/mol, XLogP of 44.26, 21 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-7-chloro-9,9-diphenylfluorene;3-(7-chloro-9,9-diphenylfluoren-2-yl)benzonitrile;4-chloro-2-phenyl-6-(4-phenylphenyl)pyrimidine;(3-cyanophenyl)boronic acid;3-[9,9-diphenyl-7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]fluoren-2-yl]benzonitrile;3-[9,9-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-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 158673050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).