[(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

C56H76Si2 — CID 11735451

IUPAC[(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C=C\C#CC1=C2C=C(C(C)(C)C)C=C3C=CC4=CC(C(C)(C)C)=CC(=C1C#C/C=C\C#C[Si](C(C)C)(C(C)C)C(C)C)[C@@]4(C)[C@@]32C)(C(C)C)C(C)C
InChIInChI=1S/C56H76Si2/c1-39(2)57(40(3)4,41(5)6)33-27-23-21-25-29-49-50(30-26-22-24-28-34-58(42(7)8,43(9)10)44(11)12)52-38-48(54(16,17)18)36-46-32-31-45-35-47(53(13,14)15)37-51(49)55(45,19)56(46,52)20/h21-24,31-32,35-44H,1-20H3/b23-21-,24-22-/t55-,56-/m0/s1
InChIKeyOMYIBTQZYXXVED-YMDPOQPOSA-N
MW805.40 g/mol
LogP15.56
Rot. Bonds6

About [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

[(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 11735451) has the molecular formula C56H76Si2 and a molecular weight of 805.40 g/mol. Its IUPAC name is [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID11735451
Molecular FormulaC56H76Si2
Molecular Weight805.40 g/mol
Exact Mass804.55
IUPAC Name[(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C=C\C#CC1=C2C=C(C(C)(C)C)C=C3C=CC4=CC(C(C)(C)C)=CC(=C1C#C/C=C\C#C[Si](C(C)C)(C(C)C)C(C)C)[C@@]4(C)[C@@]32C)(C(C)C)C(C)C
InChIInChI=1S/C56H76Si2/c1-39(2)57(40(3)4,41(5)6)33-27-23-21-25-29-49-50(30-26-22-24-28-34-58(42(7)8,43(9)10)44(11)12)52-38-48(54(16,17)18)36-46-32-31-45-35-47(53(13,14)15)37-51(49)55(45,19)56(46,52)20/h21-24,31-32,35-44H,1-20H3/b23-21-,24-22-/t55-,56-/m0/s1
InChIKeyOMYIBTQZYXXVED-YMDPOQPOSA-N
XLogP15.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.40
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 11735451) is [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#C/C=C\C#CC1=C2C=C(C(C)(C)C)C=C3C=CC4=CC(C(C)(C)C)=CC(=C1C#C/C=C\C#C[Si](C(C)C)(C(C)C)C(C)C)[C@@]4(C)[C@@]32C)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is OMYIBTQZYXXVED-YMDPOQPOSA-N. The full InChI is InChI=1S/C56H76Si2/c1-39(2)57(40(3)4,41(5)6)33-27-23-21-25-29-49-50(30-26-22-24-28-34-58(42(7)8,43(9)10)44(11)12)52-38-48(54(16,17)18)36-46-32-31-45-35-47(53(13,14)15)37-51(49)55(45,19)56(46,52)20/h21-24,31-32,35-44H,1-20H3/b23-21-,24-22-/t55-,56-/m0/s1.
What are the key properties of [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 805.40 g/mol, XLogP of 15.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[(10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-5-[(Z)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]pyren-4-yl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 11735451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).