[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane

C75H66Si3 — CID 58722457

IUPAC[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3cc(-c4c5ccccc5c(-c5ccc([Si](C)(C)C)cc5)c5ccccc45)cc(-c4c5ccccc5c(-c5ccc([Si](C)(C)C)cc5)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C75H66Si3/c1-76(2,3)55-40-34-49(35-41-55)70-58-22-10-16-28-64(58)73(65-29-17-11-23-59(65)70)52-46-53(74-66-30-18-12-24-60(66)71(61-25-13-19-31-67(61)74)50-36-42-56(43-37-50)77(4,5)6)48-54(47-52)75-68-32-20-14-26-62(68)72(63-27-15-21-33-69(63)75)51-38-44-57(45-39-51)78(7,8)9/h10-48H,1-9H3
InChIKeyYETVDZLLJYNTAA-UHFFFAOYSA-N
MW1051.61 g/mol
LogP20.24
Rot. Bonds9

About [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane

[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane (PubChem CID 58722457) has the molecular formula C75H66Si3 and a molecular weight of 1051.61 g/mol. Its IUPAC name is [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
PubChem CID58722457
Molecular FormulaC75H66Si3
Molecular Weight1051.61 g/mol
Exact Mass1050.45
IUPAC Name[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3cc(-c4c5ccccc5c(-c5ccc([Si](C)(C)C)cc5)c5ccccc45)cc(-c4c5ccccc5c(-c5ccc([Si](C)(C)C)cc5)c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C75H66Si3/c1-76(2,3)55-40-34-49(35-41-55)70-58-22-10-16-28-64(58)73(65-29-17-11-23-59(65)70)52-46-53(74-66-30-18-12-24-60(66)71(61-25-13-19-31-67(61)74)50-36-42-56(43-37-50)77(4,5)6)48-54(47-52)75-68-32-20-14-26-62(68)72(63-27-15-21-33-69(63)75)51-38-44-57(45-39-51)78(7,8)9/h10-48H,1-9H3
InChIKeyYETVDZLLJYNTAA-UHFFFAOYSA-N
XLogP20.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.61
LogP ≤ 520.24
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'}

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Related Compounds

trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
N,N-bis(4-trimethylsilylphenyl)-4-[10-[3-[10-[4-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]aniline
CID 59194308
trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane
CID 59024575
trimethyl-[6-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]silane
CID 58151270
[4-[(Z)-1-[4-[10-[4-[(Z)-1,2-bis(4-trimethylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-2-(4-trimethylsilylphenyl)ethenyl]phenyl]-trimethylsilane
CID 20724585
trimethyl-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)silane
CID 123999197
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
[4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane
CID 123561990
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
trimethyl-[4-[4-(4-trimethylsilylphenyl)-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 176645481
[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056465
trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
CID 58390070

Frequently Asked Questions

What is the IUPAC name of [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane (CID 58722457) is [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3cc(-c4c5ccccc5c(-c5ccc([Si](C)(C)C)cc5)c5ccccc45)cc(-c4c5ccccc5c(-c5ccc([Si](C)(C)C)cc5)c5ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane?
The InChIKey is YETVDZLLJYNTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H66Si3/c1-76(2,3)55-40-34-49(35-41-55)70-58-22-10-16-28-64(58)73(65-29-17-11-23-59(65)70)52-46-53(74-66-30-18-12-24-60(66)71(61-25-13-19-31-67(61)74)50-36-42-56(43-37-50)77(4,5)6)48-54(47-52)75-68-32-20-14-26-62(68)72(63-27-15-21-33-69(63)75)51-38-44-57(45-39-51)78(7,8)9/h10-48H,1-9H3.
What are the key properties of [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane?
[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane has a molecular weight of 1051.61 g/mol, XLogP of 20.24, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 58722457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).