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

C39H76S4Si6Sn — CID 135049235

IUPAC[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCC(C)c1ccc([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
InChIInChI=1S/C27H59Si6.C12H17.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-6,8-10H,1-4H3;1-2H;/q;;;+2/p-2
InChIKeyVFPZRVVVVVQDNY-UHFFFAOYSA-L
MW960.53 g/mol
LogP14.70
Rot. Bonds13

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

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 135049235) has the molecular formula C39H76S4Si6Sn and a molecular weight of 960.53 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID135049235
Molecular FormulaC39H76S4Si6Sn
Molecular Weight960.53 g/mol
Exact Mass960.25
IUPAC Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCC(C)c1ccc([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
InChIInChI=1S/C27H59Si6.C12H17.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-6,8-10H,1-4H3;1-2H;/q;;;+2/p-2
InChIKeyVFPZRVVVVVQDNY-UHFFFAOYSA-L
XLogP14.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.53
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dibutylbenzo[b][1]benzosilole
CID 12745874
5,5-Dibutyl-2-ethylbenzo[b][1]benzosilole
CID 122180194
Bis[[dimethyl(2-phenylpropyl)silyl]oxy]-dimethylsilane
CID 86278285
4,4'-Bis(trimethylsilyl)biphenyl
CID 624956
2,2'-bis(trimethylsilyl)-1,1'-Biphenyl
CID 13789366
(2,2-Diphenylethyl)triethylsilane
CID 15439187
5,5-Diethylbenzo[b][1]benzosilole
CID 54171912
5-Methyl-5-(trimethylsilyl)-5H-dibenzo[b,d]silole
CID 12745873
N'-[(E)-1-(3,4-Dimethoxyphenyl)ethylidene]-4-methoxybenzohydrazide
CID 6431605
4,4-Diphenylbuta-1,2,3-trienyl-methyl-bis(2-methylpropyl)silane
CID 12730932
1,1-Dimethyl-2,5-diphenylsilolane
CID 13168396
Bis(tert-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane
CID 101219188

Frequently Asked Questions

What is the IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 135049235) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(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-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is CC(C)c1ccc([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-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is VFPZRVVVVVQDNY-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H59Si6.C12H17.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;1-9(2)11-6-5-7-12(8-11)10(3)4;1-3-4-2;/h19-20,25-27H,1-18H3;5-6,8-10H,1-4H3;1-2H;/q;;;+2/p-2.
What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 960.53 g/mol, XLogP of 14.70, 13 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-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 135049235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).