aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine

C109H84Cl3N18O8+ — CID 158617783

About aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine

aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 158617783) has the molecular formula C109H84Cl3N18O8+ and a molecular weight of 1880.35 g/mol. Its IUPAC name is aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
• PubChem CID: 158617783
• Molecular Formula: C109H84Cl3N18O8+
• Molecular Weight: 1880.35 g/mol
• Exact Mass: 1877.58
• IUPAC Name: aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
• SMILES: C.Nc1ccccc1.O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1.O=C(Nc1cccnc1Nc1ccccc1)c1ccc(-c2ccc(C(=O)Nc3cccnc3Nc3ccccc3)cc2)cc1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1Nc1ccccc1.[H+].c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc4)cc3)nc3cccnc32)cc1
• InChI: InChI=1S/C36H28N6O2.C36H24N6.C14H8Cl2O2.C11H9N3O2.C6H7N.C5H3ClN2O2.CH4/c43-35(41-31-13-7-23-37-33(31)39-29-9-3-1-4-10-29)27-19-15-25(16-20-27)26-17-21-28(22-18-26)36(44)42-32-14-8-24-38-34(32)40-30-11-5-2-6-12-30;1-3-9-29(10-4-1)41-33(39-31-13-7-23-37-35(31)41)27-19-15-25(16-20-27)26-17-21-28(22-18-26)34-40-32-14-8-24-38-36(32)42(34)30-11-5-2-6-12-30;15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18;15-14(16)10-7-4-8-12-11(10)13-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6;6-5-4(8(9)10)2-1-3-7-5;/h1-24H,(H,37,39)(H,38,40)(H,41,43)(H,42,44);1-24H;1-8H;1-8H,(H,12,13);1-5H,7H2;1-3H;1H4/p+1
• InChIKey: HXPJIPWMSSCFNB-UHFFFAOYSA-O
• XLogP: 26.80
• TPSA: 353.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1880.35
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

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;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

The IUPAC name of aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine (CID 158617783) is aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine.

What is the SMILES notation for aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

The canonical SMILES for aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine is C.Nc1ccccc1.O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1.O=C(Nc1cccnc1Nc1ccccc1)c1ccc(-c2ccc(C(=O)Nc3cccnc3Nc3ccccc3)cc2)cc1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1Nc1ccccc1.[H+].c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc4)cc3)nc3cccnc32)cc1.

What is the InChIKey of aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

The InChIKey is HXPJIPWMSSCFNB-UHFFFAOYSA-O. The full InChI is InChI=1S/C36H28N6O2.C36H24N6.C14H8Cl2O2.C11H9N3O2.C6H7N.C5H3ClN2O2.CH4/c43-35(41-31-13-7-23-37-33(31)39-29-9-3-1-4-10-29)27-19-15-25(16-20-27)26-17-21-28(22-18-26)36(44)42-32-14-8-24-38-34(32)40-30-11-5-2-6-12-30;1-3-9-29(10-4-1)41-33(39-31-13-7-23-37-35(31)41)27-19-15-25(16-20-27)26-17-21-28(22-18-26)34-40-32-14-8-24-38-36(32)42(34)30-11-5-2-6-12-30;15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18;15-14(16)10-7-4-8-12-11(10)13-9-5-2-1-3-6-9;7-6-4-2-1-3-5-6;6-5-4(8(9)10)2-1-3-7-5;/h1-24H,(H,37,39)(H,38,40)(H,41,43)(H,42,44);1-24H;1-8H;1-8H,(H,12,13);1-5H,7H2;1-3H;1H4/p+1.

What are the key properties of aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine?

aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 1880.35 g/mol, XLogP of 26.80, 21 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;N-(2-anilino-3-pyridinyl)-4-[4-[(2-anilino-3-pyridinyl)carbamoyl]phenyl]benzamide;4-(4-carbonochloridoylphenyl)benzoyl chloride;2-chloro-3-nitropyridine;hydron;methane;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 158617783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).