triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane

C90H66Si2 — CID 20724631

IUPACtriphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane
SMILESC(=C(/c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(/C(=C/c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4ccccc4)cc3)c3ccccc23)cc1)\c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C90H66Si2/c1-9-29-69(30-10-1)87(65-67-49-61-81(62-50-67)91(75-33-13-3-14-34-75,76-35-15-4-16-36-76)77-37-17-5-18-38-77)71-53-57-73(58-54-71)89-83-45-25-27-47-85(83)90(86-48-28-26-46-84(86)89)74-59-55-72(56-60-74)88(70-31-11-2-12-32-70)66-68-51-63-82(64-52-68)92(78-39-19-6-20-40-78,79-41-21-7-22-42-79)80-43-23-8-24-44-80/h1-66H/b87-65-,88-66+
InChIKeyYGYAYPFCQSIPPK-KEEAWWRRSA-N
MW1203.69 g/mol
LogP17.26
Rot. Bonds16

About triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane

triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane (PubChem CID 20724631) has the molecular formula C90H66Si2 and a molecular weight of 1203.69 g/mol. Its IUPAC name is triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane
PubChem CID20724631
Molecular FormulaC90H66Si2
Molecular Weight1203.69 g/mol
Exact Mass1202.47
IUPAC Nametriphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane
SMILESC(=C(/c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(/C(=C/c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4ccccc4)cc3)c3ccccc23)cc1)\c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C90H66Si2/c1-9-29-69(30-10-1)87(65-67-49-61-81(62-50-67)91(75-33-13-3-14-34-75,76-35-15-4-16-36-76)77-37-17-5-18-38-77)71-53-57-73(58-54-71)89-83-45-25-27-47-85(83)90(86-48-28-26-46-84(86)89)74-59-55-72(56-60-74)88(70-31-11-2-12-32-70)66-68-51-63-82(64-52-68)92(78-39-19-6-20-40-78,79-41-21-7-22-42-79)80-43-23-8-24-44-80/h1-66H/b87-65-,88-66+
InChIKeyYGYAYPFCQSIPPK-KEEAWWRRSA-N
XLogP17.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms92
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.69
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane?
The IUPAC name of triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane (CID 20724631) is triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane.
What is the SMILES notation for triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane?
The canonical SMILES for triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane is C(=C(/c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(/C(=C/c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4ccccc4)cc3)c3ccccc23)cc1)\c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane?
The InChIKey is YGYAYPFCQSIPPK-KEEAWWRRSA-N. The full InChI is InChI=1S/C90H66Si2/c1-9-29-69(30-10-1)87(65-67-49-61-81(62-50-67)91(75-33-13-3-14-34-75,76-35-15-4-16-36-76)77-37-17-5-18-38-77)71-53-57-73(58-54-71)89-83-45-25-27-47-85(83)90(86-48-28-26-46-84(86)89)74-59-55-72(56-60-74)88(70-31-11-2-12-32-70)66-68-51-63-82(64-52-68)92(78-39-19-6-20-40-78,79-41-21-7-22-42-79)80-43-23-8-24-44-80/h1-66H/b87-65-,88-66+.
What are the key properties of triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane?
triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane has a molecular weight of 1203.69 g/mol, XLogP of 17.26, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane is sourced from PubChem (CID 20724631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).