[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

C36H52Si2 — CID 100967832

IUPAC[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C36H52Si2/c1-27(2)37(28(3)4,29(5)6)25-23-35(33-19-15-13-16-20-33)36(34-21-17-14-18-22-34)24-26-38(30(7)8,31(9)10)32(11)12/h13-22,27-32H,1-12H3/b36-35-
InChIKeyVMOXSIIXQLOQMF-KXYMVQBMSA-N
MW540.98 g/mol
LogP11.04
Rot. Bonds8

About [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 100967832) has the molecular formula C36H52Si2 and a molecular weight of 540.98 g/mol. Its IUPAC name is [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID100967832
Molecular FormulaC36H52Si2
Molecular Weight540.98 g/mol
Exact Mass540.36
IUPAC Name[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C36H52Si2/c1-27(2)37(28(3)4,29(5)6)25-23-35(33-19-15-13-16-20-33)36(34-21-17-14-18-22-34)24-26-38(30(7)8,31(9)10)32(11)12/h13-22,27-32H,1-12H3/b36-35-
InChIKeyVMOXSIIXQLOQMF-KXYMVQBMSA-N
XLogP11.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.98
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
CID 102473895
[(Z)-3-fluoro-4-phenylpent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10757817
3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
CID 102235449
4-[12-(4-aminophenyl)-6,9-diphenyl-1,14-bis[tri(propan-2-yl)silyl]tetradeca-3,4,5,9,10,11-hexaen-1,7,13-triyn-3-yl]aniline
CID 102335535
1-phenyl-N-prop-2-ynyl-3-tri(propan-2-yl)silylprop-2-yn-1-imine
CID 11738820
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
CID 175036788
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14935770
[(3E,5Z)-3,5-bis(methoxymethoxymethyl)-4,6-diphenylhexa-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
CID 134941910
(2,7-dimethyl-6-phenylocta-2,6-dien-4-yn-3-yl)benzene
CID 625338
1-phenylethenyl-tri(propan-2-yl)silane
CID 102241725
3-phenyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 165389065
CID 101008098
CID 101008098

Frequently Asked Questions

What is the IUPAC name of [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 100967832) is [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#C/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is VMOXSIIXQLOQMF-KXYMVQBMSA-N. The full InChI is InChI=1S/C36H52Si2/c1-27(2)37(28(3)4,29(5)6)25-23-35(33-19-15-13-16-20-33)36(34-21-17-14-18-22-34)24-26-38(30(7)8,31(9)10)32(11)12/h13-22,27-32H,1-12H3/b36-35-.
What are the key properties of [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 540.98 g/mol, XLogP of 11.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 100967832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).