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

C139H114N12OSi4 — CID 158600641

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

16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene (PubChem CID 158600641) has the molecular formula C139H114N12OSi4 and a molecular weight of 2080.87 g/mol. Its IUPAC name is 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene.

Molecular Properties

• Compound Name: 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
• PubChem CID: 158600641
• Molecular Formula: C139H114N12OSi4
• Molecular Weight: 2080.87 g/mol
• Exact Mass: 2078.83
• IUPAC Name: 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene
• SMILES: Cc1cccc(C)c1-c1cc2c3c(c1)c1ccccc1c1nc(C)c(n13)CC2.Cc1nc2c3ccccc3c3cccc4c3n2c1C[Si]4(C)C.Cc1nc2c3ccccc3c3cccc4c3n2c1C[Si]4(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3cccc4c3n2c1OC4.Cc1nc2c3ccccc3c3cccc4c3n2c1[Si](C)(C)C4.Cc1nc2c3ccccc3c3cccc4c3n2c1[Si](c1ccccc1)(c1ccccc1)C4
• InChI: InChI=1S/2C29H22N2Si.C26H22N2.2C19H18N2Si.C17H12N2O/c1-20-29-31-27-21(11-10-18-25(27)24-16-8-9-17-26(24)28(31)30-20)19-32(29,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-20-26-19-32(21-11-4-2-5-12-21,22-13-6-3-7-14-22)27-18-10-17-24-23-15-8-9-16-25(23)29(30-20)31(26)28(24)27;1-15-7-6-8-16(2)24(15)19-13-18-11-12-23-17(3)27-26-21-10-5-4-9-20(21)22(14-19)25(18)28(23)26;1-12-19-21-17-13(11-22(19,2)3)7-6-10-15(17)14-8-4-5-9-16(14)18(21)20-12;1-12-16-11-22(2,3)17-10-6-9-14-13-7-4-5-8-15(13)19(20-12)21(16)18(14)17;1-10-17-19-15-11(9-20-17)5-4-8-13(15)12-6-2-3-7-14(12)16(19)18-10/h2*2-18H,19H2,1H3;4-10,13-14H,11-12H2,1-3H3;2*4-10H,11H2,1-3H3;2-8H,9H2,1H3
• InChIKey: HVOXXEDILGRJDD-UHFFFAOYSA-N
• XLogP: 27.12
• TPSA: 113.03 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.87
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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

The IUPAC name of 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene (CID 158600641) is 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[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 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene?

The canonical SMILES for 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene is Cc1cccc(C)c1-c1cc2c3c(c1)c1ccccc1c1nc(C)c(n13)CC2.Cc1nc2c3ccccc3c3cccc4c3n2c1C[Si]4(C)C.Cc1nc2c3ccccc3c3cccc4c3n2c1C[Si]4(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3cccc4c3n2c1OC4.Cc1nc2c3ccccc3c3cccc4c3n2c1[Si](C)(C)C4.Cc1nc2c3ccccc3c3cccc4c3n2c1[Si](c1ccccc1)(c1ccccc1)C4.

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

The InChIKey is HVOXXEDILGRJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H22N2Si.C26H22N2.2C19H18N2Si.C17H12N2O/c1-20-29-31-27-21(11-10-18-25(27)24-16-8-9-17-26(24)28(31)30-20)19-32(29,22-12-4-2-5-13-22)23-14-6-3-7-15-23;1-20-26-19-32(21-11-4-2-5-12-21,22-13-6-3-7-14-22)27-18-10-17-24-23-15-8-9-16-25(23)29(30-20)31(26)28(24)27;1-15-7-6-8-16(2)24(15)19-13-18-11-12-23-17(3)27-26-21-10-5-4-9-20(21)22(14-19)25(18)28(23)26;1-12-19-21-17-13(11-22(19,2)3)7-6-10-15(17)14-8-4-5-9-16(14)18(21)20-12;1-12-16-11-22(2,3)17-10-6-9-14-13-7-4-5-8-15(13)19(20-12)21(16)18(14)17;1-10-17-19-15-11(9-20-17)5-4-8-13(15)12-6-2-3-7-14(12)16(19)18-10/h2*2-18H,19H2,1H3;4-10,13-14H,11-12H2,1-3H3;2*4-10H,11H2,1-3H3;2-8H,9H2,1H3.

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

16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[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 2080.87 g/mol, XLogP of 27.12, 5 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(2,6-dimethylphenyl)-10-methyl-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-methyl-12,12-diphenyl-9,19-diaza-12-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10-methyl-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;10-methyl-12-oxa-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,12,12-trimethyl-9,19-diaza-12-silapentacyclo[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-diaza-13-silapentacyclo[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 158600641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).