12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene

C138H116N12S2Si2 — CID 158924804

About 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene

12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene (PubChem CID 158924804) has the molecular formula C138H116N12S2Si2 and a molecular weight of 2062.84 g/mol. Its IUPAC name is 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene.

Molecular Properties

• Compound Name: 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
• PubChem CID: 158924804
• Molecular Formula: C138H116N12S2Si2
• Molecular Weight: 2062.84 g/mol
• Exact Mass: 2060.84
• IUPAC Name: 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
• SMILES: CC1(C)c2cccc3c4ccccc4c4ncc(n4c23)[Si]1(c1ccccc1)c1ccccc1.CC1(C)c2cnc3c4ccccc4c4cccc(c4n23)[Si]1(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3cccc4c3n2c1C(C)(C)C4.Cc1nc2c3ccccc3c3cccc4c3n2c1C(C)(C)S4.Cc1nc2c3ccccc3c3cccc4c3n2c1CC4(C)C.Cc1nc2c3ccccc3c3cccc4c3n2c1SC4(C)C
• InChI: InChI=1S/2C30H24N2Si.2C20H18N2.2C19H16N2S/c1-30(2)27-20-31-29-25-17-10-9-16-23(25)24-18-11-19-26(28(24)32(27)29)33(30,21-12-5-3-6-13-21)22-14-7-4-8-15-22;1-30(2)26-19-11-18-24-23-16-9-10-17-25(23)29-31-20-27(32(29)28(24)26)33(30,21-12-5-3-6-13-21)22-14-7-4-8-15-22;1-12-18-20(2,3)11-13-7-6-10-15-14-8-4-5-9-16(14)19(21-12)22(18)17(13)15;1-12-17-11-20(2,3)16-10-6-9-14-13-7-4-5-8-15(13)19(21-12)22(17)18(14)16;1-11-18-21-16-13(9-6-10-15(16)19(2,3)22-18)12-7-4-5-8-14(12)17(21)20-11;1-11-17-19(2,3)22-15-10-6-9-13-12-7-4-5-8-14(12)18(20-11)21(17)16(13)15/h2*3-20H,1-2H3;2*4-10H,11H2,1-3H3;2*4-10H,1-3H3
• InChIKey: JIHLPEBQHZYBJL-UHFFFAOYSA-N
• XLogP: 30.03
• TPSA: 103.80 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.84
LogP ≤ 5	30.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?

The IUPAC name of 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene (CID 158924804) is 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene.

What is the SMILES notation for 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?

The canonical SMILES for 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene is CC1(C)c2cccc3c4ccccc4c4ncc(n4c23)[Si]1(c1ccccc1)c1ccccc1.CC1(C)c2cnc3c4ccccc4c4cccc(c4n23)[Si]1(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3cccc4c3n2c1C(C)(C)C4.Cc1nc2c3ccccc3c3cccc4c3n2c1C(C)(C)S4.Cc1nc2c3ccccc3c3cccc4c3n2c1CC4(C)C.Cc1nc2c3ccccc3c3cccc4c3n2c1SC4(C)C.

What is the InChIKey of 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?

The InChIKey is JIHLPEBQHZYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H24N2Si.2C20H18N2.2C19H16N2S/c1-30(2)27-20-31-29-25-17-10-9-16-23(25)24-18-11-19-26(28(24)32(27)29)33(30,21-12-5-3-6-13-21)22-14-7-4-8-15-22;1-30(2)26-19-11-18-24-23-16-9-10-17-25(23)29-31-20-27(32(29)28(24)26)33(30,21-12-5-3-6-13-21)22-14-7-4-8-15-22;1-12-18-20(2,3)11-13-7-6-10-15-14-8-4-5-9-16(14)19(21-12)22(18)17(13)15;1-12-17-11-20(2,3)16-10-6-9-14-13-7-4-5-8-15(13)19(21-12)22(17)18(14)16;1-11-18-21-16-13(9-6-10-15(16)19(2,3)22-18)12-7-4-5-8-14(12)17(21)20-11;1-11-17-19(2,3)22-15-10-6-9-13-12-7-4-5-8-14(12)18(20-11)21(17)16(13)15/h2*3-20H,1-2H3;2*4-10H,11H2,1-3H3;2*4-10H,1-3H3.

What are the key properties of 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?

12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene has a molecular weight of 2062.84 g/mol, XLogP of 30.03, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethyl-13,13-diphenyl-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;13,13-dimethyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,13,13-trimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12-trimethyl-13-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,13,13-trimethyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene is sourced from PubChem (CID 158924804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).