triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane

C56H40Si — CID 176639452

IUPACtriphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane
SMILES[2H]c1c([2H])c([2H])c2c(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2c1[2H]
InChIInChI=1S/C56H40Si/c1-6-21-41(22-7-1)48-35-20-36-49(42-23-8-2-9-24-42)55(48)56-52-33-18-16-31-50(52)54(51-32-17-19-34-53(51)56)43-37-39-47(40-38-43)57(44-25-10-3-11-26-44,45-27-12-4-13-28-45)46-29-14-5-15-30-46/h1-40H/i16D,18D,31D,33D
InChIKeyRXDFBFXKMOXPGQ-KDEWYLQXSA-N
MW745.05 g/mol
LogP12.04
Rot. Bonds8

About triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane

triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane (PubChem CID 176639452) has the molecular formula C56H40Si and a molecular weight of 745.05 g/mol. Its IUPAC name is triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane
PubChem CID176639452
Molecular FormulaC56H40Si
Molecular Weight745.05 g/mol
Exact Mass744.32
IUPAC Nametriphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane
SMILES[2H]c1c([2H])c([2H])c2c(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2c1[2H]
InChIInChI=1S/C56H40Si/c1-6-21-41(22-7-1)48-35-20-36-49(42-23-8-2-9-24-42)55(48)56-52-33-18-16-31-50(52)54(51-32-17-19-34-53(51)56)43-37-39-47(40-38-43)57(44-25-10-3-11-26-44,45-27-12-4-13-28-45)46-29-14-5-15-30-46/h1-40H/i16D,18D,31D,33D
InChIKeyRXDFBFXKMOXPGQ-KDEWYLQXSA-N
XLogP12.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.05
LogP ≤ 512.04
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triphenyl-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]silane
CID 123924347
10-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176639429
3-[7-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 176639528
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
CID 177495996
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[4-(10-phenylphenanthren-9-yl)phenyl]anthracene
CID 176646825
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 153474897
bis(9,10-diphenylanthracen-2-yl)-diphenylsilane
CID 156630661
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene
CID 153473902
1,2,3,4,5,6,7,8-octadeuterio-9-phenanthren-1-yl-10-phenylanthracene
CID 177089183
1,2,3,4-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)dibenzofuran
CID 176786272

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane?
The IUPAC name of triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane (CID 176639452) is triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane?
The canonical SMILES for triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane is [2H]c1c([2H])c([2H])c2c(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2c1[2H].
What is the InChIKey of triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane?
The InChIKey is RXDFBFXKMOXPGQ-KDEWYLQXSA-N. The full InChI is InChI=1S/C56H40Si/c1-6-21-41(22-7-1)48-35-20-36-49(42-23-8-2-9-24-42)55(48)56-52-33-18-16-31-50(52)54(51-32-17-19-34-53(51)56)43-37-39-47(40-38-43)57(44-25-10-3-11-26-44,45-27-12-4-13-28-45)46-29-14-5-15-30-46/h1-40H/i16D,18D,31D,33D.
What are the key properties of triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane?
triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane has a molecular weight of 745.05 g/mol, XLogP of 12.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane is sourced from PubChem (CID 176639452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).