[[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane

C45H80GeSSi6 — CID 16688574

IUPAC[[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1[Ge]1(c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)Sc2ccccc21
InChIInChI=1S/C45H80GeSSi6/c1-32(2)35-26-25-27-36(33(3)4)41(35)46(39-28-23-24-29-40(39)47-46)42-37(44(50(11,12)13)51(14,15)16)30-34(43(48(5,6)7)49(8,9)10)31-38(42)45(52(17,18)19)53(20,21)22/h23-33,43-45H,1-22H3
InChIKeyHKTZEWRMMMUTLR-UHFFFAOYSA-N
MW894.33 g/mol
LogP13.52
Rot. Bonds13

About [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 16688574) has the molecular formula C45H80GeSSi6 and a molecular weight of 894.33 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID16688574
Molecular FormulaC45H80GeSSi6
Molecular Weight894.33 g/mol
Exact Mass894.38
IUPAC Name[[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESCC(C)c1cccc(C(C)C)c1[Ge]1(c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)Sc2ccccc21
InChIInChI=1S/C45H80GeSSi6/c1-32(2)35-26-25-27-36(33(3)4)41(35)46(39-28-23-24-29-40(39)47-46)42-37(44(50(11,12)13)51(14,15)16)30-34(43(48(5,6)7)49(8,9)10)31-38(42)45(52(17,18)19)53(20,21)22/h23-33,43-45H,1-22H3
InChIKeyHKTZEWRMMMUTLR-UHFFFAOYSA-N
XLogP13.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.33
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[3,5-bis[bis(trimethylsilyl)methyl]-2-[[2,6-di(propan-2-yl)phenyl]-tellanylidenegermyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 11468688
dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
CID 100938802
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[2-[2-[[2-[2-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]sulfanylphenyl]sulfanylphenyl]disulfanyl]phenyl]sulfanylphenyl]sulfanylphenyl]-trimethylsilylmethyl]-trimethylsilane
CID 11528311
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4-di(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 135049235
CID 102094493
CID 102094493
1,3,2-benzodithiaborol-2-yl-(2,4,6-trimethylphenyl)-trimethylsilyl-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
CID 102147546
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[5-[2,4,6-tri(propan-2-yl)phenyl]tetrathiastannolan-5-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 10996715
[[3,5-bis[bis(trimethylsilyl)methyl]-2-(8-phenyl-1-germabicyclo[2.2.2]octa-2,5-dien-1-yl)phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 102510056
CID 134904137
CID 134904137
CID 134978777
CID 134978777
[[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 102463714
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[3-(2,4,6-trimethylphenyl)-4-[2,4,6-tri(propan-2-yl)phenyl]-1,2,4-oxazagermet-4-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane
CID 102091999

Frequently Asked Questions

What is the IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 16688574) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is CC(C)c1cccc(C(C)C)c1[Ge]1(c2c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc2C([Si](C)(C)C)[Si](C)(C)C)Sc2ccccc21.
What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is HKTZEWRMMMUTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H80GeSSi6/c1-32(2)35-26-25-27-36(33(3)4)41(35)46(39-28-23-24-29-40(39)47-46)42-37(44(50(11,12)13)51(14,15)16)30-34(43(48(5,6)7)49(8,9)10)31-38(42)45(52(17,18)19)53(20,21)22/h23-33,43-45H,1-22H3.
What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
[[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 894.33 g/mol, XLogP of 13.52, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-[8-[2,6-di(propan-2-yl)phenyl]-7-thia-8-germabicyclo[4.2.0]octa-1,3,5-trien-8-yl]phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 16688574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).