2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane

C140H98B2Cl3N11O4 — CID 160800835

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

2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane (PubChem CID 160800835) has the molecular formula C140H98B2Cl3N11O4 and a molecular weight of 2126.38 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 160800835
• Molecular Formula: C140H98B2Cl3N11O4
• Molecular Weight: 2126.38 g/mol
• Exact Mass: 2123.71
• IUPAC Name: 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.Clc1ccc(-c2nc(Cl)nc(-c3ccccc3)n2)cc1.N#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)cc2)c1.N#Cc1cccc(B(O)O)c1
• InChI: InChI=1S/C47H30N4.C40H26ClN3.C31H27BO2.C15H9Cl2N3.C7H6BNO2/c48-31-32-13-11-16-36(29-32)33-25-27-35(28-26-33)45-49-44(34-14-3-1-4-15-34)50-46(51-45)37-17-12-20-39(30-37)47(38-18-5-2-6-19-38)42-23-9-7-21-40(42)41-22-8-10-24-43(41)47;41-32-24-22-28(23-25-32)38-42-37(27-12-3-1-4-13-27)43-39(44-38)29-14-11-17-31(26-29)40(30-15-5-2-6-16-30)35-20-9-7-18-33(35)34-19-8-10-21-36(34)40;1-29(2)30(3,4)34-32(33-29)20-17-18-24-23-13-7-10-16-27(23)31(28(24)19-20)25-14-8-5-11-21(25)22-12-6-9-15-26(22)31;16-12-8-6-11(7-9-12)14-18-13(19-15(17)20-14)10-4-2-1-3-5-10;9-5-6-2-1-3-7(4-6)8(10)11/h1-30H;1-26H;5-19H,1-4H3;1-9H;1-4,10-11H
• InChIKey: SDAWAIUSVGPTFS-UHFFFAOYSA-N
• XLogP: 30.74
• TPSA: 222.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.38
LogP ≤ 5	30.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane (CID 160800835) is 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.Clc1ccc(-c2nc(Cl)nc(-c3ccccc3)n2)cc1.N#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)n3)cc2)c1.N#Cc1cccc(B(O)O)c1.

What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane?

The InChIKey is SDAWAIUSVGPTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4.C40H26ClN3.C31H27BO2.C15H9Cl2N3.C7H6BNO2/c48-31-32-13-11-16-36(29-32)33-25-27-35(28-26-33)45-49-44(34-14-3-1-4-15-34)50-46(51-45)37-17-12-20-39(30-37)47(38-18-5-2-6-19-38)42-23-9-7-21-40(42)41-22-8-10-24-43(41)47;41-32-24-22-28(23-25-32)38-42-37(27-12-3-1-4-13-27)43-39(44-38)29-14-11-17-31(26-29)40(30-15-5-2-6-16-30)35-20-9-7-18-33(35)34-19-8-10-21-36(34)40;1-29(2)30(3,4)34-32(33-29)20-17-18-24-23-13-7-10-16-27(23)31(28(24)19-20)25-14-8-5-11-21(25)22-12-6-9-15-26(22)31;16-12-8-6-11(7-9-12)14-18-13(19-15(17)20-14)10-4-2-1-3-5-10;9-5-6-2-1-3-7(4-6)8(10)11/h1-30H;1-26H;5-19H,1-4H3;1-9H;1-4,10-11H.

What are the key properties of 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane?

2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2126.38 g/mol, XLogP of 30.74, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine;2-(4-chlorophenyl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine;(3-cyanophenyl)boronic acid;3-[4-[4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile;4,4,5,5-tetramethyl-2-(9,9'-spirobi[fluorene]-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160800835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).