18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

C110H84N10O3SSi3 — CID 161404368

About 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (PubChem CID 161404368) has the molecular formula C110H84N10O3SSi3 and a molecular weight of 1710.27 g/mol. Its IUPAC name is 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

Molecular Properties

• Compound Name: 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
• PubChem CID: 161404368
• Molecular Formula: C110H84N10O3SSi3
• Molecular Weight: 1710.27 g/mol
• Exact Mass: 1708.58
• IUPAC Name: 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
• SMILES: Cc1ccc2c3c1c1ccccc1c1ncc(n13)CCC2.Cc1ccc2c3c1c1ccccc1c1ncc(n13)O[Si]2(C)C.Cc1ccc2c3c1c1ccccc1c1ncc(n13)O[Si]2(c1ccccc1)c1ccccc1.Cc1ccc2c3c1c1ccccc1c1ncc(n13)SC2.Cc1ccc2c3c1c1ccccc1c1ncc(n13)[Si](c1ccccc1)(c1ccccc1)O2
• InChI: InChI=1S/2C28H20N2OSi.C19H16N2.C18H16N2OSi.C17H12N2S/c1-19-16-17-24-27-26(19)22-14-8-9-15-23(22)28-29-18-25(30(27)28)31-32(24,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-24-27-26(19)22-14-8-9-15-23(22)28-29-18-25(30(27)28)32(31-24,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-12-9-10-13-5-4-6-14-11-20-19-16-8-3-2-7-15(16)17(12)18(13)21(14)19;1-11-8-9-14-17-16(11)12-6-4-5-7-13(12)18-19-10-15(20(17)18)21-22(14,2)3;1-10-6-7-11-9-20-14-8-18-17-13-5-3-2-4-12(13)15(10)16(11)19(14)17/h2*2-18H,1H3;2-3,7-11H,4-6H2,1H3;4-10H,1-3H3;2-8H,9H2,1H3
• InChIKey: VUQJXFGWJKSJJU-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 114.19 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.27
LogP ≤ 5	21.36
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 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The IUPAC name of 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (CID 161404368) is 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

What is the SMILES notation for 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The canonical SMILES for 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is Cc1ccc2c3c1c1ccccc1c1ncc(n13)CCC2.Cc1ccc2c3c1c1ccccc1c1ncc(n13)O[Si]2(C)C.Cc1ccc2c3c1c1ccccc1c1ncc(n13)O[Si]2(c1ccccc1)c1ccccc1.Cc1ccc2c3c1c1ccccc1c1ncc(n13)SC2.Cc1ccc2c3c1c1ccccc1c1ncc(n13)[Si](c1ccccc1)(c1ccccc1)O2.

What is the InChIKey of 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The InChIKey is VUQJXFGWJKSJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H20N2OSi.C19H16N2.C18H16N2OSi.C17H12N2S/c1-19-16-17-24-27-26(19)22-14-8-9-15-23(22)28-29-18-25(30(27)28)31-32(24,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-19-16-17-24-27-26(19)22-14-8-9-15-23(22)28-29-18-25(30(27)28)32(31-24,20-10-4-2-5-11-20)21-12-6-3-7-13-21;1-12-9-10-13-5-4-6-14-11-20-19-16-8-3-2-7-15(16)17(12)18(13)21(14)19;1-11-8-9-14-17-16(11)12-6-4-5-7-13(12)18-19-10-15(20(17)18)21-22(14,2)3;1-10-6-7-11-9-20-14-8-18-17-13-5-3-2-4-12(13)15(10)16(11)19(14)17/h2*2-18H,1H3;2-3,7-11H,4-6H2,1H3;4-10H,1-3H3;2-8H,9H2,1H3.

What are the key properties of 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene has a molecular weight of 1710.27 g/mol, XLogP of 21.36, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 18-methyl-9,20-diazapentacyclo[9.7.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,15(19),16-octaene;17-methyl-12,12-diphenyl-13-oxa-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;17-methyl-13,13-diphenyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;17-methyl-12-thia-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;13,13,17-trimethyl-12-oxa-9,19-diaza-13-silapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is sourced from PubChem (CID 161404368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).