dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane

C39H78Si7 — CID 100938802

IUPACdideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
SMILES[2H][Si]([2H])(c1c(C(C)C)cccc1C(C)C)c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C39H78Si7/c1-28(2)31-24-23-25-32(29(3)4)35(31)40-36-33(38(43(11,12)13)44(14,15)16)26-30(37(41(5,6)7)42(8,9)10)27-34(36)39(45(17,18)19)46(20,21)22/h23-29,37-39H,40H2,1-22H3/i40D2
InChIKeyFHOFNSNLZRHYKA-WIFQZARFSA-N
MW745.67 g/mol
LogP11.57
Rot. Bonds13

About dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane

dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane (PubChem CID 100938802) has the molecular formula C39H78Si7 and a molecular weight of 745.67 g/mol. Its IUPAC name is dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane.

Molecular Properties

Compound Namedideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
PubChem CID100938802
Molecular FormulaC39H78Si7
Molecular Weight745.67 g/mol
Exact Mass744.46
IUPAC Namedideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane
SMILES[2H][Si]([2H])(c1c(C(C)C)cccc1C(C)C)c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C39H78Si7/c1-28(2)31-24-23-25-32(29(3)4)35(31)40-36-33(38(43(11,12)13)44(14,15)16)26-30(37(41(5,6)7)42(8,9)10)27-34(36)39(45(17,18)19)46(20,21)22/h23-29,37-39H,40H2,1-22H3/i40D2
InChIKeyFHOFNSNLZRHYKA-WIFQZARFSA-N
XLogP11.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.67
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane?
The IUPAC name of dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane (CID 100938802) is dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane.
What is the SMILES notation for dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane?
The canonical SMILES for dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane is [2H][Si]([2H])(c1c(C(C)C)cccc1C(C)C)c1c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)cc1C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane?
The InChIKey is FHOFNSNLZRHYKA-WIFQZARFSA-N. The full InChI is InChI=1S/C39H78Si7/c1-28(2)31-24-23-25-32(29(3)4)35(31)40-36-33(38(43(11,12)13)44(14,15)16)26-30(37(41(5,6)7)42(8,9)10)27-34(36)39(45(17,18)19)46(20,21)22/h23-29,37-39H,40H2,1-22H3/i40D2.
What are the key properties of dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane?
dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane has a molecular weight of 745.67 g/mol, XLogP of 11.57, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[2,6-di(propan-2-yl)phenyl]-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]silane is sourced from PubChem (CID 100938802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).