5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C155H121B2Br3N10O6 — CID 165048993

About 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 165048993) has the molecular formula C155H121B2Br3N10O6 and a molecular weight of 2481.07 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 165048993
• Molecular Formula: C155H121B2Br3N10O6
• Molecular Weight: 2481.07 g/mol
• Exact Mass: 2476.72
• IUPAC Name: 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: Brc1ccc(-c2nc3ccccc3c3ccc4ccc(-c5ccccc5)nc4c23)cc1.Brc1ccc2ccc(-c3ccccc3)nc2c1.CC(=O)c1ccccc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5ccc(-c6ccccc6)nc5c34)cc2)OC1(C)C.CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C.Nc1ccccc1-c1ccc2ccc(-c3ccccc3)nc2c1.O=C(Nc1ccccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccc(Br)cc1
• InChI: InChI=1S/C34H29BN2O2.C28H19BrN2O.C28H17BrN2.C21H22BNO2.C21H16N2.C15H10BrN.C8H8O/c1-33(2)34(3,4)39-35(38-33)25-18-14-23(15-19-25)32-30-27(26-12-8-9-13-29(26)37-32)20-16-24-17-21-28(36-31(24)30)22-10-6-5-7-11-22;29-23-15-12-21(13-16-23)28(32)31-26-9-5-4-8-24(26)22-11-10-20-14-17-25(30-27(20)18-22)19-6-2-1-3-7-19;29-21-14-10-19(11-15-21)28-26-23(22-8-4-5-9-25(22)31-28)16-12-20-13-17-24(30-27(20)26)18-6-2-1-3-7-18;1-20(2)21(3,4)25-22(24-20)17-12-10-16-11-13-18(23-19(16)14-17)15-8-6-5-7-9-15;22-19-9-5-4-8-18(19)17-11-10-16-12-13-20(23-21(16)14-17)15-6-2-1-3-7-15;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8/h5-21H,1-4H3;1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-14H,22H2;1-10H;2-6H,1H3
• InChIKey: PJCGGCXATQFTEE-UHFFFAOYSA-N
• XLogP: 39.09
• TPSA: 212.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2481.07
LogP ≤ 5	39.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 165048993) is 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

What is the SMILES notation for 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The canonical SMILES for 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Brc1ccc(-c2nc3ccccc3c3ccc4ccc(-c5ccccc5)nc4c23)cc1.Brc1ccc2ccc(-c3ccccc3)nc2c1.CC(=O)c1ccccc1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4ccc5ccc(-c6ccccc6)nc5c34)cc2)OC1(C)C.CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C.Nc1ccccc1-c1ccc2ccc(-c3ccccc3)nc2c1.O=C(Nc1ccccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccc(Br)cc1.

What is the InChIKey of 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is PJCGGCXATQFTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29BN2O2.C28H19BrN2O.C28H17BrN2.C21H22BNO2.C21H16N2.C15H10BrN.C8H8O/c1-33(2)34(3,4)39-35(38-33)25-18-14-23(15-19-25)32-30-27(26-12-8-9-13-29(26)37-32)20-16-24-17-21-28(36-31(24)30)22-10-6-5-7-11-22;29-23-15-12-21(13-16-23)28(32)31-26-9-5-4-8-24(26)22-11-10-20-14-17-25(30-27(20)18-22)19-6-2-1-3-7-19;29-21-14-10-19(11-15-21)28-26-23(22-8-4-5-9-25(22)31-28)16-12-20-13-17-24(30-27(20)26)18-6-2-1-3-7-18;1-20(2)21(3,4)25-22(24-20)17-12-10-16-11-13-18(23-19(16)14-17)15-8-6-5-7-9-15;22-19-9-5-4-8-18(19)17-11-10-16-12-13-20(23-21(16)14-17)15-6-2-1-3-7-15;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8/h5-21H,1-4H3;1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-14H,22H2;1-10H;2-6H,1H3.

What are the key properties of 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 2481.07 g/mol, XLogP of 39.09, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-bromophenyl)-3-phenylbenzo[i][1,9]phenanthroline;7-bromo-2-phenylquinoline;4-bromo-N-[2-(2-phenylquinolin-7-yl)phenyl]benzamide;1-phenylethanone;2-(2-phenylquinolin-7-yl)aniline;3-phenyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[i][1,9]phenanthroline;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 165048993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).