aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline

C102H76Br3Cl3N19O8+ — CID 162232611

About aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline

aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline (PubChem CID 162232611) has the molecular formula C102H76Br3Cl3N19O8+ and a molecular weight of 2041.93 g/mol. Its IUPAC name is aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline.

Molecular Properties

• Compound Name: aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline
• PubChem CID: 162232611
• Molecular Formula: C102H76Br3Cl3N19O8+
• Molecular Weight: 2041.93 g/mol
• Exact Mass: 2036.27
• IUPAC Name: aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline
• SMILES: Brc1cc(-c2nc3cccnc3n2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1.Nc1ccccc1.O=C(Cl)c1cc(Br)cc(C(=O)Cl)c1.O=C(Nc1cccnc1Nc1ccccc1)c1cc(Br)cc(C(=O)Nc2cccnc2Nc2ccccc2)c1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1Nc1ccccc1.[H+].c1ccc(Nc2ccccc2)cc1
• InChI: InChI=1S/C30H23BrN6O2.C30H19BrN6.C12H11N.C11H9N3O2.C8H3BrCl2O2.C6H7N.C5H3ClN2O2/c31-22-18-20(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;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;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;7-6-4-2-1-3-5-6;6-5-4(8(9)10)2-1-3-7-5/h1-19H,(H,32,34)(H,33,35)(H,36,38)(H,37,39);1-19H;1-10,13H;1-8H,(H,12,13);1-3H;1-5H,7H2;1-3H/p+1
• InChIKey: ZVQBVJYUPZRNPB-UHFFFAOYSA-O
• XLogP: 26.88
• TPSA: 365.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.93
LogP ≤ 5	26.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline?

The IUPAC name of aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline (CID 162232611) is aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline.

What is the SMILES notation for aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline?

The canonical SMILES for aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline is Brc1cc(-c2nc3cccnc3n2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1.Nc1ccccc1.O=C(Cl)c1cc(Br)cc(C(=O)Cl)c1.O=C(Nc1cccnc1Nc1ccccc1)c1cc(Br)cc(C(=O)Nc2cccnc2Nc2ccccc2)c1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1Nc1ccccc1.[H+].c1ccc(Nc2ccccc2)cc1.

What is the InChIKey of aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline?

The InChIKey is ZVQBVJYUPZRNPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H23BrN6O2.C30H19BrN6.C12H11N.C11H9N3O2.C8H3BrCl2O2.C6H7N.C5H3ClN2O2/c31-22-18-20(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;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;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;7-6-4-2-1-3-5-6;6-5-4(8(9)10)2-1-3-7-5/h1-19H,(H,32,34)(H,33,35)(H,36,38)(H,37,39);1-19H;1-10,13H;1-8H,(H,12,13);1-3H;1-5H,7H2;1-3H/p+1.

What are the key properties of aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline?

aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline has a molecular weight of 2041.93 g/mol, XLogP of 26.88, 20 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;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-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-chloro-3-nitropyridine;hydron;3-nitro-N-phenylpyridin-2-amine;N-phenylaniline is sourced from PubChem (CID 162232611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).