2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C153H121B3Br2ClN15O8 — CID 158592764

About 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158592764) has the molecular formula C153H121B3Br2ClN15O8 and a molecular weight of 2525.44 g/mol. Its IUPAC name is 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;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-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158592764
• Molecular Formula: C153H121B3Br2ClN15O8
• Molecular Weight: 2525.44 g/mol
• Exact Mass: 2521.79
• IUPAC Name: 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)ccc2c1.CC(=O)c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(-c4cnc5ccccc5c4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3cnc4ccccc4c3)ccc2c1.Nc1ccc(Br)cc1C=O.c1ccc2ncc(-c3ccc4cc(-c5ccc6nc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)ccc6c5)ccc4n3)cc2c1
• InChI: InChI=1S/C45H27N5.C27H16BrN3.C24H23BN2O2.C20H14N2O.C18H11ClN2.C12H24B2O4.C7H6BrNO/c1-2-6-38-34(4-1)26-37(27-47-38)43-22-17-36-25-33(15-20-42(36)49-43)32-14-19-41-35(24-32)16-21-39(48-41)28-7-9-29(10-8-28)40-18-13-31-12-11-30-5-3-23-46-44(30)45(31)50-40;28-22-11-14-25-21(16-22)10-13-23(30-25)17-3-5-18(6-4-17)24-12-9-20-8-7-19-2-1-15-29-26(19)27(20)31-24;1-23(2)24(3,4)29-25(28-23)19-10-12-21-17(14-19)9-11-22(27-21)18-13-16-7-5-6-8-20(16)26-15-18;1-13(23)14-4-6-15(7-5-14)18-11-10-17-9-8-16-3-2-12-21-19(16)20(17)22-18;19-15-6-8-17-13(10-15)5-7-18(21-17)14-9-12-3-1-2-4-16(12)20-11-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;8-6-1-2-7(9)5(3-6)4-10/h1-27H;1-16H;5-15H,1-4H3;2-12H,1H3;1-11H;1-8H3;1-4H,9H2
• InChIKey: HUQMASTYZAQKPZ-UHFFFAOYSA-N
• XLogP: 37.12
• TPSA: 296.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.44
LogP ≤ 5	37.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;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-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158592764) is 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;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-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;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-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)ccc2c1.CC(=O)c1ccc(-c2ccc3ccc4cccnc4c3n2)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(-c4cnc5ccccc5c4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3cnc4ccccc4c3)ccc2c1.Nc1ccc(Br)cc1C=O.c1ccc2ncc(-c3ccc4cc(-c5ccc6nc(-c7ccc(-c8ccc9ccc%10cccnc%10c9n8)cc7)ccc6c5)ccc4n3)cc2c1.

What is the InChIKey of 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HUQMASTYZAQKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5.C27H16BrN3.C24H23BN2O2.C20H14N2O.C18H11ClN2.C12H24B2O4.C7H6BrNO/c1-2-6-38-34(4-1)26-37(27-47-38)43-22-17-36-25-33(15-20-42(36)49-43)32-14-19-41-35(24-32)16-21-39(48-41)28-7-9-29(10-8-28)40-18-13-31-12-11-30-5-3-23-46-44(30)45(31)50-40;28-22-11-14-25-21(16-22)10-13-23(30-25)17-3-5-18(6-4-17)24-12-9-20-8-7-19-2-1-15-29-26(19)27(20)31-24;1-23(2)24(3,4)29-25(28-23)19-10-12-21-17(14-19)9-11-22(27-21)18-13-16-7-5-6-8-20(16)26-15-18;1-13(23)14-4-6-15(7-5-14)18-11-10-17-9-8-16-3-2-12-21-19(16)20(17)22-18;19-15-6-8-17-13(10-15)5-7-18(21-17)14-9-12-3-1-2-4-16(12)20-11-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;8-6-1-2-7(9)5(3-6)4-10/h1-27H;1-16H;5-15H,1-4H3;2-12H,1H3;1-11H;1-8H3;1-4H,9H2.

What are the key properties of 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;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 2525.44 g/mol, XLogP of 37.12, 13 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromobenzaldehyde;2-[4-(6-bromoquinolin-2-yl)phenyl]-1,10-phenanthroline;6-chloro-2-quinolin-3-ylquinoline;1-[4-(1,10-phenanthrolin-2-yl)phenyl]ethanone;2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-quinolin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;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 158592764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).