9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C188H146B4BrCl3N10O8 — CID 157269317

About 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157269317) has the molecular formula C188H146B4BrCl3N10O8 and a molecular weight of 2902.81 g/mol. Its IUPAC name is 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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: 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157269317
• Molecular Formula: C188H146B4BrCl3N10O8
• Molecular Weight: 2902.81 g/mol
• Exact Mass: 2898.99
• IUPAC Name: 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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(c2ccc(C3(c4ccc(-c5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(C2(c3ccc(Br)cc3)c3ccccc3-c3ccccc32)cc1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.N#Cc1ccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.N#Cc1ccc(-c2ccc(C3(c4ccc(Cl)cc4)c4ccccc4-c4ccccc43)cc2)cc1.N#Cc1ccc(B(O)O)cc1
• InChI: InChI=1S/C53H34N4.C38H32BNO2.C32H20ClN.C25H16BrCl.C21H14ClN3.C12H24B2O4.C7H6BNO2/c54-35-36-22-24-38(25-23-36)39-26-30-44(31-27-39)53(48-20-9-7-18-46(48)47-19-8-10-21-49(47)53)45-32-28-41(29-33-45)51-55-50(40-14-5-2-6-15-40)56-52(57-51)43-17-11-16-42(34-43)37-12-3-1-4-13-37;1-36(2)37(3,4)42-39(41-36)31-23-21-30(22-24-31)38(34-11-7-5-9-32(34)33-10-6-8-12-35(33)38)29-19-17-28(18-20-29)27-15-13-26(25-40)14-16-27;33-27-19-17-26(18-20-27)32(30-7-3-1-5-28(30)29-6-2-4-8-31(29)32)25-15-13-24(14-16-25)23-11-9-22(21-34)10-12-23;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;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: AYIVYTNQTPDEAO-UHFFFAOYSA-N
• XLogP: 43.05
• 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	2902.81
LogP ≤ 5	43.05
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 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157269317) is 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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(c2ccc(C3(c4ccc(-c5ccc(C#N)cc5)cc4)c4ccccc4-c4ccccc43)cc2)OC1(C)C.Clc1ccc(C2(c3ccc(Br)cc3)c3ccccc3-c3ccccc32)cc1.Clc1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1.N#Cc1ccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c4ccccc4-c4ccccc43)cc2)cc1.N#Cc1ccc(-c2ccc(C3(c4ccc(Cl)cc4)c4ccccc4-c4ccccc43)cc2)cc1.N#Cc1ccc(B(O)O)cc1.

What is the InChIKey of 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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 AYIVYTNQTPDEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C38H32BNO2.C32H20ClN.C25H16BrCl.C21H14ClN3.C12H24B2O4.C7H6BNO2/c54-35-36-22-24-38(25-23-36)39-26-30-44(31-27-39)53(48-20-9-7-18-46(48)47-19-8-10-21-49(47)53)45-32-28-41(29-33-45)51-55-50(40-14-5-2-6-15-40)56-52(57-51)43-17-11-16-42(34-43)37-12-3-1-4-13-37;1-36(2)37(3,4)42-39(41-36)31-23-21-30(22-24-31)38(34-11-7-5-9-32(34)33-10-6-8-12-35(33)38)29-19-17-28(18-20-29)27-15-13-26(25-40)14-16-27;33-27-19-17-26(18-20-27)32(30-7-3-1-5-28(30)29-6-2-4-8-31(29)32)25-15-13-24(14-16-25)23-11-9-22(21-34)10-12-23;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;22-21-24-19(16-10-5-2-6-11-16)23-20(25-21)18-13-7-12-17(14-18)15-8-3-1-4-9-15;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 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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 2902.81 g/mol, XLogP of 43.05, 21 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-bromophenyl)-9-(4-chlorophenyl)fluorene;4-[4-[9-(4-chlorophenyl)fluoren-9-yl]phenyl]benzonitrile;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]benzonitrile;4-[4-[9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-9-yl]phenyl]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 157269317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).