benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C142H120B3Br3I2N8O8 — CID 161206064

About benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161206064) has the molecular formula C142H120B3Br3I2N8O8 and a molecular weight of 2592.53 g/mol. Its IUPAC name is benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]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: benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161206064
• Molecular Formula: C142H120B3Br3I2N8O8
• Molecular Weight: 2592.53 g/mol
• Exact Mass: 2588.51
• IUPAC Name: benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1.Brc1ccc2ccc3cccnc3c2n1.CC(=O)c1ccc(Br)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc4ccc5ccccc5c34)cc2)OC1(C)C.II.Nc1ccc2ccccc2c1.O=Cc1ccccc1.c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c3c(ccc4ccccc43)n2)cc1
• InChI: InChI=1S/C37H23N3.C31H28BNO2.C25H16BrN.C12H24B2O4.C12H7BrN2.C10H9N.C8H7BrO.C7H6O.I2/c1-2-8-26(9-3-1)34-23-31(35-30-11-5-4-7-24(30)18-21-33(35)39-34)25-12-14-27(15-13-25)32-20-19-29-17-16-28-10-6-22-38-36(28)37(29)40-32;1-30(2)31(3,4)35-32(34-30)24-17-14-22(15-18-24)26-20-28(23-11-6-5-7-12-23)33-27-19-16-21-10-8-9-13-25(21)29(26)27;26-20-13-10-18(11-14-20)22-16-24(19-7-2-1-3-8-19)27-23-15-12-17-6-4-5-9-21(17)25(22)23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6(10)7-2-4-8(9)5-3-7;8-6-7-4-2-1-3-5-7;1-2/h1-23H;5-20H,1-4H3;1-16H;1-8H3;1-7H;1-7H,11H2;2-5H,1H3;1-6H
• InChIKey: UVPNIRCBXCTDIA-UHFFFAOYSA-N
• XLogP: 38.13
• TPSA: 205.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2592.53
LogP ≤ 5	38.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]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 benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161206064) is benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]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 benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]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 benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1.Brc1ccc2ccc3cccnc3c2n1.CC(=O)c1ccc(Br)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc4ccc5ccccc5c34)cc2)OC1(C)C.II.Nc1ccc2ccccc2c1.O=Cc1ccccc1.c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)c3c(ccc4ccccc43)n2)cc1.

What is the InChIKey of benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]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 UVPNIRCBXCTDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3.C31H28BNO2.C25H16BrN.C12H24B2O4.C12H7BrN2.C10H9N.C8H7BrO.C7H6O.I2/c1-2-8-26(9-3-1)34-23-31(35-30-11-5-4-7-24(30)18-21-33(35)39-34)25-12-14-27(15-13-25)32-20-19-29-17-16-28-10-6-22-38-36(28)37(29)40-32;1-30(2)31(3,4)35-32(34-30)24-17-14-22(15-18-24)26-20-28(23-11-6-5-7-12-23)33-27-19-16-21-10-8-9-13-25(21)29(26)27;26-20-13-10-18(11-14-20)22-16-24(19-7-2-1-3-8-19)27-23-15-12-17-6-4-5-9-21(17)25(22)23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-6(10)7-2-4-8(9)5-3-7;8-6-7-4-2-1-3-5-7;1-2/h1-23H;5-20H,1-4H3;1-16H;1-8H3;1-7H;1-7H,11H2;2-5H,1H3;1-6H;.

What are the key properties of benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]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 2592.53 g/mol, XLogP of 38.13, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for benzaldehyde;2-bromo-1,10-phenanthroline;1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-3-phenylbenzo[f]quinoline;molecular iodine;naphthalen-2-amine;2-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]-1,10-phenanthroline;3-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]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 161206064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).