azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide

C136H124BBr4N8O9+ — CID 160527222

About azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide

azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide (PubChem CID 160527222) has the molecular formula C136H124BBr4N8O9+ and a molecular weight of 2344.96 g/mol. Its IUPAC name is azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide.

Molecular Properties

• Compound Name: azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide
• PubChem CID: 160527222
• Molecular Formula: C136H124BBr4N8O9+
• Molecular Weight: 2344.96 g/mol
• Exact Mass: 2339.63
• IUPAC Name: azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide
• SMILES: Br.Brc1cccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(-c4cccc(Br)c4)n3)n2)c1.CC(=O)C(C)=O.CC1(C)OB(c2ccccc2)OC1(C)C.CCO.N.N.N.O=C(/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1.O=C(C[n+]1ccccc1)c1cccc(Br)c1.O=Cc1ccccc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)n3)c2)cc1
• InChI: InChI=1S/C46H32N2.C34H22Br2N2.C18H14O2.C13H11BrNO.C12H17BO2.C7H6O.C4H6O2.C2H6O.BrH.3H3N/c1-5-15-33(16-6-1)37-23-13-25-39(27-37)43-29-41(35-19-9-3-10-20-35)31-45(47-43)46-32-42(36-21-11-4-12-22-36)30-44(48-46)40-26-14-24-38(28-40)34-17-7-2-8-18-34;35-29-15-7-13-25(17-29)31-19-27(23-9-3-1-4-10-23)21-33(37-31)34-22-28(24-11-5-2-6-12-24)20-32(38-34)26-14-8-16-30(36)18-26;19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16;14-12-6-4-5-11(9-12)13(16)10-15-7-2-1-3-8-15;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;8-6-7-4-2-1-3-5-7;1-3(5)4(2)6;1-2-3;;;;/h1-32H;1-22H;1-14H;1-9H,10H2;5-9H,1-4H3;1-6H;1-2H3;3H,2H2,1H3;1H;3*1H3/q;;;+1;;;;;;;;/b;;13-11+,14-12+
• InChIKey: WVEDQAXHFNHZNB-NBVHOOBUSA-N
• XLogP: 33.36
• TPSA: 301.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.96
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide?

The IUPAC name of azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide (CID 160527222) is azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide.

What is the SMILES notation for azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide?

The canonical SMILES for azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide is Br.Brc1cccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)cc(-c4cccc(Br)c4)n3)n2)c1.CC(=O)C(C)=O.CC1(C)OB(c2ccccc2)OC1(C)C.CCO.N.N.N.O=C(/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1.O=C(C[n+]1ccccc1)c1cccc(Br)c1.O=Cc1ccccc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)n3)c2)cc1.

What is the InChIKey of azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide?

The InChIKey is WVEDQAXHFNHZNB-NBVHOOBUSA-N. The full InChI is InChI=1S/C46H32N2.C34H22Br2N2.C18H14O2.C13H11BrNO.C12H17BO2.C7H6O.C4H6O2.C2H6O.BrH.3H3N/c1-5-15-33(16-6-1)37-23-13-25-39(27-37)43-29-41(35-19-9-3-10-20-35)31-45(47-43)46-32-42(36-21-11-4-12-22-36)30-44(48-46)40-26-14-24-38(28-40)34-17-7-2-8-18-34;35-29-15-7-13-25(17-29)31-19-27(23-9-3-1-4-10-23)21-33(37-31)34-22-28(24-11-5-2-6-12-24)20-32(38-34)26-14-8-16-30(36)18-26;19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16;14-12-6-4-5-11(9-12)13(16)10-15-7-2-1-3-8-15;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;8-6-7-4-2-1-3-5-7;1-3(5)4(2)6;1-2-3;;;;/h1-32H;1-22H;1-14H;1-9H,10H2;5-9H,1-4H3;1-6H;1-2H3;3H,2H2,1H3;1H;3*1H3/q;;;+1;;;;;;;;/b;;13-11+,14-12+;;;;;;;;;.

What are the key properties of azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide?

azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide has a molecular weight of 2344.96 g/mol, XLogP of 33.36, 23 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for azane;benzaldehyde;2-(3-bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;butane-2,3-dione;(1E,5E)-1,6-diphenylhexa-1,5-diene-3,4-dione;ethanol;4-phenyl-2-(3-phenylphenyl)-6-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]pyridine;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide is sourced from PubChem (CID 160527222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).