1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane

C147H107BBr3Cl2N21O8 — CID 157052309

About 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane

1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane (PubChem CID 157052309) has the molecular formula C147H107BBr3Cl2N21O8 and a molecular weight of 2617.04 g/mol. Its IUPAC name is 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane
• PubChem CID: 157052309
• Molecular Formula: C147H107BBr3Cl2N21O8
• Molecular Weight: 2617.04 g/mol
• Exact Mass: 2611.56
• IUPAC Name: 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane
• SMILES: Brc1cc(C2=NC3C=CC=NC3N2c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1.C1=CC2N=C(c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc(-c4nc5cccnc5n4-c4ccccc4)c3)N(c3ccccc3)C2N=C1.CC1(C)OB(c2ccc3ccc4cccc5ccc2c3c45)OC1(C)C.O=C(Cl)c1cc(Br)cc(C(=O)Cl)c1.O=C(Nc1cccnc1Nc1ccccc1)c1cc(Br)cc(C(=O)Nc2cccnc2Nc2ccccc2)c1.O=[N+]([O-])c1cccnc1Nc1ccccc1
• InChI: InChI=1S/C46H30N6.C30H23BrN6O2.C30H21BrN6.C22H21BO2.C11H9N3O2.C8H3BrCl2O2/c1-3-12-35(13-4-1)51-43(49-39-16-8-24-47-45(39)51)33-26-32(37-22-20-31-19-18-29-10-7-11-30-21-23-38(37)42(31)41(29)30)27-34(28-33)44-50-40-17-9-25-48-46(40)52(44)36-14-5-2-6-15-36;31-22-18-20(29(38)36-25-13-7-15-32-27(25)34-23-9-3-1-4-10-23)17-21(19-22)30(39)37-26-14-8-16-33-28(26)35-24-11-5-2-6-12-24;31-22-18-20(27-34-25-13-7-15-32-29(25)36(27)23-9-3-1-4-10-23)17-21(19-22)28-35-26-14-8-16-33-30(26)37(28)24-11-5-2-6-12-24;1-21(2)22(3,4)25-23(24-21)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15;15-14(16)10-7-4-8-12-11(10)13-9-5-2-1-3-6-9;9-6-2-4(7(10)12)1-5(3-6)8(11)13/h1-28,39,45H;1-19H,(H,32,34)(H,33,35)(H,36,38)(H,37,39);1-19,25,29H;5-13H,1-4H3;1-8H,(H,12,13);1-3H
• InChIKey: AAIVTOADPPWXFY-UHFFFAOYSA-N
• XLogP: 34.76
• TPSA: 346.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2617.04
LogP ≤ 5	34.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane?

The IUPAC name of 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane (CID 157052309) is 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane.

What is the SMILES notation for 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane?

The canonical SMILES for 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane is Brc1cc(C2=NC3C=CC=NC3N2c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1.C1=CC2N=C(c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc(-c4nc5cccnc5n4-c4ccccc4)c3)N(c3ccccc3)C2N=C1.CC1(C)OB(c2ccc3ccc4cccc5ccc2c3c45)OC1(C)C.O=C(Cl)c1cc(Br)cc(C(=O)Cl)c1.O=C(Nc1cccnc1Nc1ccccc1)c1cc(Br)cc(C(=O)Nc2cccnc2Nc2ccccc2)c1.O=[N+]([O-])c1cccnc1Nc1ccccc1.

What is the InChIKey of 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane?

The InChIKey is AAIVTOADPPWXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N6.C30H23BrN6O2.C30H21BrN6.C22H21BO2.C11H9N3O2.C8H3BrCl2O2/c1-3-12-35(13-4-1)51-43(49-39-16-8-24-47-45(39)51)33-26-32(37-22-20-31-19-18-29-10-7-11-30-21-23-38(37)42(31)41(29)30)27-34(28-33)44-50-40-17-9-25-48-46(40)52(44)36-14-5-2-6-15-36;31-22-18-20(29(38)36-25-13-7-15-32-27(25)34-23-9-3-1-4-10-23)17-21(19-22)30(39)37-26-14-8-16-33-28(26)35-24-11-5-2-6-12-24;31-22-18-20(27-34-25-13-7-15-32-29(25)36(27)23-9-3-1-4-10-23)17-21(19-22)28-35-26-14-8-16-33-30(26)37(28)24-11-5-2-6-12-24;1-21(2)22(3,4)25-23(24-21)18-13-11-16-9-8-14-6-5-7-15-10-12-17(18)20(16)19(14)15;15-14(16)10-7-4-8-12-11(10)13-9-5-2-1-3-6-9;9-6-2-4(7(10)12)1-5(3-6)8(11)13/h1-28,39,45H;1-19H,(H,32,34)(H,33,35)(H,36,38)(H,37,39);1-19,25,29H;5-13H,1-4H3;1-8H,(H,12,13);1-3H.

What are the key properties of 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane?

1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane has a molecular weight of 2617.04 g/mol, XLogP of 34.76, 23 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 157052309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).