10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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

C136H120N10S2Si3 — CID 157266938

About 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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

10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 157266938) has the molecular formula C136H120N10S2Si3 and a molecular weight of 2042.92 g/mol. Its IUPAC name is 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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: 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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: 157266938
• Molecular Formula: C136H120N10S2Si3
• Molecular Weight: 2042.92 g/mol
• Exact Mass: 2040.84
• IUPAC Name: 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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: Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)[Si]4(C)C.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)[Si]4(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(c1ccccc1)(c1ccccc1)S4.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1SC4(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1[Si](C)(C)C4(C)C
• InChI: InChI=1S/C32H28N2Si.2C30H22N2S.2C22H24N2Si/c1-21-19-20-27-29-28(21)25-17-11-12-18-26(25)31-33-22(2)30(34(29)31)32(3,4)35(27,23-13-7-5-8-14-23)24-15-9-6-10-16-24;1-19-17-18-25-27-26(19)23-15-9-10-16-24(23)28-31-20(2)29(32(27)28)33-30(25,21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-19-17-18-25-27-26(19)23-15-9-10-16-24(23)29-31-20(2)28(32(27)29)30(33-25,21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-13-11-12-17-19-18(13)15-9-7-8-10-16(15)20-23-14(2)21(24(19)20)25(5,6)22(17,3)4;1-13-11-12-17-19-18(13)15-9-7-8-10-16(15)21-23-14(2)20(24(19)21)22(3,4)25(17,5)6/h5-20H,1-4H3;2*3-18H,1-2H3;2*7-12H,1-6H3
• InChIKey: AYCGVDLNTCOECR-UHFFFAOYSA-N
• XLogP: 30.88
• TPSA: 86.50 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.92
LogP ≤ 5	30.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 157266938) is 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)[Si]4(C)C.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)[Si]4(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(c1ccccc1)(c1ccccc1)S4.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1SC4(c1ccccc1)c1ccccc1.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1[Si](C)(C)C4(C)C.

What is the InChIKey of 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 AYCGVDLNTCOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2Si.2C30H22N2S.2C22H24N2Si/c1-21-19-20-27-29-28(21)25-17-11-12-18-26(25)31-33-22(2)30(34(29)31)32(3,4)35(27,23-13-7-5-8-14-23)24-15-9-6-10-16-24;1-19-17-18-25-27-26(19)23-15-9-10-16-24(23)28-31-20(2)29(32(27)28)33-30(25,21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-19-17-18-25-27-26(19)23-15-9-10-16-24(23)29-31-20(2)28(32(27)29)30(33-25,21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-13-11-12-17-19-18(13)15-9-7-8-10-16(15)20-23-14(2)21(24(19)20)25(5,6)22(17,3)4;1-13-11-12-17-19-18(13)15-9-7-8-10-16(15)21-23-14(2)20(24(19)21)22(3,4)25(17,5)6/h5-20H,1-4H3;2*3-18H,1-2H3;2*7-12H,1-6H3.

What are the key properties of 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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?

10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 2042.92 g/mol, XLogP of 30.88, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10,17-dimethyl-12,12-diphenyl-13-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;10,17-dimethyl-13,13-diphenyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,13,13,17-hexamethyl-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;10,12,12,17-tetramethyl-13,13-diphenyl-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 157266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).