[4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane

C60H90N2S2Si — CID 58975422

About [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane

[4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (PubChem CID 58975422) has the molecular formula C60H90N2S2Si and a molecular weight of 931.61 g/mol. Its IUPAC name is [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

Molecular Properties

• Compound Name: [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
• PubChem CID: 58975422
• Molecular Formula: C60H90N2S2Si
• Molecular Weight: 931.61 g/mol
• Exact Mass: 930.63
• IUPAC Name: [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
• SMILES: CC1CCC(C2CC3C(CC(C)C3[Si](C)(C)C3C(C)CC4C3CC(C3CCC(C)CC3)CC4N3C4CCCCC4SC4CCCCC43)C(N3c4ccccc4Sc4ccccc43)C2)CC1
• InChI: InChI=1S/C60H90N2S2Si/c1-37-23-27-41(28-24-37)43-33-47-45(53(35-43)61-49-15-7-11-19-55(49)63-56-20-12-8-16-50(56)61)31-39(3)59(47)65(5,6)60-40(4)32-46-48(60)34-44(42-29-25-38(2)26-30-42)36-54(46)62-51-17-9-13-21-57(51)64-58-22-14-10-18-52(58)62/h7-8,11-12,15-16,19-20,37-48,51-54,57-60H,9-10,13-14,17-18,21-36H2,1-6H3
• InChIKey: UNGCJJQASUWTGB-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 6.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.61
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

The IUPAC name of [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane (CID 58975422) is [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane.

What is the SMILES notation for [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

The canonical SMILES for [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is CC1CCC(C2CC3C(CC(C)C3[Si](C)(C)C3C(C)CC4C3CC(C3CCC(C)CC3)CC4N3C4CCCCC4SC4CCCCC43)C(N3c4ccccc4Sc4ccccc43)C2)CC1.

What is the InChIKey of [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

The InChIKey is UNGCJJQASUWTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H90N2S2Si/c1-37-23-27-41(28-24-37)43-33-47-45(53(35-43)61-49-15-7-11-19-55(49)63-56-20-12-8-16-50(56)61)31-39(3)59(47)65(5,6)60-40(4)32-46-48(60)34-44(42-29-25-38(2)26-30-42)36-54(46)62-51-17-9-13-21-57(51)64-58-22-14-10-18-52(58)62/h7-8,11-12,15-16,19-20,37-48,51-54,57-60H,9-10,13-14,17-18,21-36H2,1-6H3.

What are the key properties of [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane?

[4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane has a molecular weight of 931.61 g/mol, XLogP of 17.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazin-10-yl)-2-methyl-6-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-6-(4-methylcyclohexyl)-4-phenothiazin-10-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane is sourced from PubChem (CID 58975422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).