11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide

C189H145N33OPt7S — CID 159721433

About 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide

11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide (PubChem CID 159721433) has the molecular formula C189H145N33OPt7S and a molecular weight of 4292.08 g/mol. Its IUPAC name is 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide.

Molecular Properties

• Compound Name: 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide
• PubChem CID: 159721433
• Molecular Formula: C189H145N33OPt7S
• Molecular Weight: 4292.08 g/mol
• Exact Mass: 4288.96
• IUPAC Name: 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide
• SMILES: Cc1cc(C)n(-c2[c-]c3c(cc2)CCc2ccccc2N3c2[c-]c(-n3cccn3)ccc2)n1.Cc1cnn(-c2[c-]c3c(cc2)CCc2ccccc2N3c2[c-]c(-n3nc(C)cc3C)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)CCc1ccccc1N2c1[c-]c(-n2cccn2)ccc1.Cn1ccnc1-c1[c-]c2c(cc1)CCc1ccccc1N2c1[c-]c(-n2cccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(N2c3[c-]c(-c4ncco4)ccc3CCc3ccccc32)cccc1-n1cccn1.[c-]1c(N2c3[c-]c(-c4nccs4)ccc3CCc3ccccc32)cccc1-n1cccn1.[c-]1c(N2c3[c-]c(-n4cccn4)ccc3CCc3ccccc32)cccc1-n1cccn1
• InChI: InChI=1S/C29H25N5.C28H23N5.2C27H21N5.C26H19N5.C26H18N4O.C26H18N4S.7Pt/c1-20-18-30-32(19-20)25-14-13-24-12-11-23-7-4-5-10-28(23)33(29(24)17-25)26-8-6-9-27(16-26)34-22(3)15-21(2)31-34;1-20-17-21(2)33(30-20)26-14-13-23-12-11-22-7-3-4-10-27(22)32(28(23)19-26)25-9-5-8-24(18-25)31-16-6-15-29-31;2*1-30-17-15-28-27(30)22-13-12-21-11-10-20-6-2-3-9-25(20)32(26(21)18-22)24-8-4-7-23(19-24)31-16-5-14-29-31;1-2-9-25-20(6-1)10-11-21-12-13-23(30-17-5-15-28-30)19-26(21)31(25)24-8-3-7-22(18-24)29-16-4-14-27-29;2*1-2-8-24-19(5-1)9-10-20-11-12-21(26-27-14-16-31-26)17-25(20)30(24)23-7-3-6-22(18-23)29-15-4-13-28-29;;;;;;;/h4-10,13-15,18-19H,11-12H2,1-3H3;3-10,13-17H,11-12H2,1-2H3;2*2-9,12-17H,10-11H2,1H3;1-9,12-17H,10-11H2;2*1-8,11-16H,9-10H2;;;;;;;/q7*-2;7*+2
• InChIKey: CKAYCAVDTSSZCH-UHFFFAOYSA-N
• XLogP: 39.95
• TPSA: 275.44 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4292.08
LogP ≤ 5	39.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide?

The IUPAC name of 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide (CID 159721433) is 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide.

What is the SMILES notation for 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide?

The canonical SMILES for 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide is Cc1cc(C)n(-c2[c-]c3c(cc2)CCc2ccccc2N3c2[c-]c(-n3cccn3)ccc2)n1.Cc1cnn(-c2[c-]c3c(cc2)CCc2ccccc2N3c2[c-]c(-n3nc(C)cc3C)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)CCc1ccccc1N2c1[c-]c(-n2cccn2)ccc1.Cn1ccnc1-c1[c-]c2c(cc1)CCc1ccccc1N2c1[c-]c(-n2cccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(N2c3[c-]c(-c4ncco4)ccc3CCc3ccccc32)cccc1-n1cccn1.[c-]1c(N2c3[c-]c(-c4nccs4)ccc3CCc3ccccc32)cccc1-n1cccn1.[c-]1c(N2c3[c-]c(-n4cccn4)ccc3CCc3ccccc32)cccc1-n1cccn1.

What is the InChIKey of 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide?

The InChIKey is CKAYCAVDTSSZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5.C28H23N5.2C27H21N5.C26H19N5.C26H18N4O.C26H18N4S.7Pt/c1-20-18-30-32(19-20)25-14-13-24-12-11-23-7-4-5-10-28(23)33(29(24)17-25)26-8-6-9-27(16-26)34-22(3)15-21(2)31-34;1-20-17-21(2)33(30-20)26-14-13-23-12-11-22-7-3-4-10-27(22)32(28(23)19-26)25-9-5-8-24(18-25)31-16-6-15-29-31;2*1-30-17-15-28-27(30)22-13-12-21-11-10-20-6-2-3-9-25(20)32(26(21)18-22)24-8-4-7-23(19-24)31-16-5-14-29-31;1-2-9-25-20(6-1)10-11-21-12-13-23(30-17-5-15-28-30)19-26(21)31(25)24-8-3-7-22(18-24)29-16-4-14-27-29;2*1-2-8-24-19(5-1)9-10-20-11-12-21(26-27-14-16-31-26)17-25(20)30(24)23-7-3-6-22(18-23)29-15-4-13-28-29;;;;;;;/h4-10,13-15,18-19H,11-12H2,1-3H3;3-10,13-17H,11-12H2,1-2H3;2*2-9,12-17H,10-11H2,1H3;1-9,12-17H,10-11H2;2*1-8,11-16H,9-10H2;;;;;;;/q7*-2;7*+2.

What are the key properties of 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide?

11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide has a molecular weight of 4292.08 g/mol, XLogP of 39.95, 21 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(4-methylpyrazol-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;2-(3,5-dimethylpyrazol-1-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide;bis(2-(1-methylimidazol-2-yl)-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide);heptakis(platinum(2+));2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-oxazole;2-[11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-thiazole;2-pyrazol-1-yl-11-(3-pyrazol-1-ylbenzene-2-id-1-yl)-5,6-dihydro-1H-benzo[b][1]benzazepin-1-ide is sourced from PubChem (CID 159721433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).