9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide

C144H101N19O5Pt5 — CID 163665950

About 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide

9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide (PubChem CID 163665950) has the molecular formula C144H101N19O5Pt5 and a molecular weight of 3152.91 g/mol. Its IUPAC name is 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide.

Molecular Properties

• Compound Name: 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide
• PubChem CID: 163665950
• Molecular Formula: C144H101N19O5Pt5
• Molecular Weight: 3152.91 g/mol
• Exact Mass: 3150.65
• IUPAC Name: 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide
• SMILES: Cc1cc(C)n(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cc1cnn(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)COc1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=Nc4ccccc4C3)ccc2COc2ccccc21
• InChI: InChI=1S/C32H21N3O.C29H22N4O.2C28H20N4O.C27H18N4O.5Pt/c1-2-12-28-23(8-1)19-29(34-28)24-15-16-25-21-36-32-14-4-3-13-30(32)35(31(25)20-24)26-10-7-9-22(18-26)27-11-5-6-17-33-27;1-20-16-21(2)33(31-20)25-14-13-23-19-34-29-12-4-3-11-27(29)32(28(23)18-25)24-9-7-8-22(17-24)26-10-5-6-15-30-26;1-20-17-30-31(18-20)23-13-12-22-19-33-28-11-3-2-10-26(28)32(27(22)16-23)24-8-6-7-21(15-24)25-9-4-5-14-29-25;1-31-16-15-30-28(31)21-12-13-22-19-33-27-11-3-2-10-25(27)32(26(22)18-21)23-8-6-7-20(17-23)24-9-4-5-14-29-24;1-2-11-27-25(10-1)31(23-8-5-7-20(17-23)24-9-3-4-14-28-24)26-18-22(30-16-6-15-29-30)13-12-21(26)19-32-27;;;;;/h1-17H,19,21H2;3-16H,19H2,1-2H3;2-14,17-18H,19H2,1H3;2-16H,19H2,1H3;1-16H,19H2;;;;;/q5*-2;5*+2
• InChIKey: XVTSKUBHCAJPDU-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 210.44 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3152.91
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide?

The IUPAC name of 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide (CID 163665950) is 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide.

What is the SMILES notation for 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide?

The canonical SMILES for 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide is Cc1cc(C)n(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cc1cnn(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)c1.Cn1ccnc1-c1[c-]c2c(cc1)COc1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=Nc4ccccc4C3)ccc2COc2ccccc21.

What is the InChIKey of 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide?

The InChIKey is XVTSKUBHCAJPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O.C29H22N4O.2C28H20N4O.C27H18N4O.5Pt/c1-2-12-28-23(8-1)19-29(34-28)24-15-16-25-21-36-32-14-4-3-13-30(32)35(31(25)20-24)26-10-7-9-22(18-26)27-11-5-6-17-33-27;1-20-16-21(2)33(31-20)25-14-13-23-19-34-29-12-4-3-11-27(29)32(28(23)18-25)24-9-7-8-22(17-24)26-10-5-6-15-30-26;1-20-17-30-31(18-20)23-13-12-22-19-33-28-11-3-2-10-26(28)32(27(22)16-23)24-8-6-7-21(15-24)25-9-4-5-14-29-25;1-31-16-15-30-28(31)21-12-13-22-19-33-27-11-3-2-10-25(27)32(26(22)18-21)23-8-6-7-20(17-23)24-9-4-5-14-29-24;1-2-11-27-25(10-1)31(23-8-5-7-20(17-23)24-9-3-4-14-28-24)26-18-22(30-16-6-15-29-30)13-12-21(26)19-32-27;;;;;/h1-17H,19,21H2;3-16H,19H2,1-2H3;2-14,17-18H,19H2,1H3;2-16H,19H2,1H3;1-16H,19H2;;;;;/q5*-2;5*+2.

What are the key properties of 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide?

9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide has a molecular weight of 3152.91 g/mol, XLogP of 32.10, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide is sourced from PubChem (CID 163665950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).