[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane

C42H82S4Si6Sn — CID 10996715

About [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 10996715) has the molecular formula C42H82S4Si6Sn and a molecular weight of 1002.61 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

• Compound Name: [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
• PubChem CID: 10996715
• Molecular Formula: C42H82S4Si6Sn
• Molecular Weight: 1002.61 g/mol
• Exact Mass: 1002.29
• IUPAC Name: [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
• SMILES: CC(C)c1cc(C(C)C)c([Sn]2(c3c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc3C([Si](C)(C)C)[Si](C)(C)C)SSSS2)c(C(C)C)c1
• InChI: InChI=1S/C27H59Si6.C15H23.H2S4.Sn/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;1-3-4-2;/h19-20,25-27H,1-18H3;7-8,10-12H,1-6H3;1-2H;/q;;;+2/p-2
• InChIKey: HKGKUJRLKCGWFX-UHFFFAOYSA-L
• XLogP: 15.82
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1002.61
LogP ≤ 5	15.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?

The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 10996715) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?

The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is CC(C)c1cc(C(C)C)c([Sn]2(c3c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc3C([Si](C)(C)C)[Si](C)(C)C)SSSS2)c(C(C)C)c1.

What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?

The InChIKey is HKGKUJRLKCGWFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H59Si6.C15H23.H2S4.Sn/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;1-3-4-2;/h19-20,25-27H,1-18H3;7-8,10-12H,1-6H3;1-2H;/q;;;+2/p-2.

What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 1002.61 g/mol, XLogP of 15.82, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 10996715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).