triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane

C44H31OPSi — CID 172555505

IUPACtriphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane
SMILESO=Pc1ccc(-c2c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H31OPSi/c45-46-34-28-24-32(25-29-34)43-39-20-10-12-22-41(39)44(42-23-13-11-21-40(42)43)33-26-30-38(31-27-33)47(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h1-31H
InChIKeyOGAGCMAXAAONIX-UHFFFAOYSA-N
MW634.79 g/mol
LogP8.62
Rot. Bonds7

About triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane

triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane (PubChem CID 172555505) has the molecular formula C44H31OPSi and a molecular weight of 634.79 g/mol. Its IUPAC name is triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane
PubChem CID172555505
Molecular FormulaC44H31OPSi
Molecular Weight634.79 g/mol
Exact Mass634.19
IUPAC Nametriphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane
SMILESO=Pc1ccc(-c2c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H31OPSi/c45-46-34-28-24-32(25-29-34)43-39-20-10-12-22-41(39)44(42-23-13-11-21-40(42)43)33-26-30-38(31-27-33)47(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h1-31H
InChIKeyOGAGCMAXAAONIX-UHFFFAOYSA-N
XLogP8.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.79
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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
bis(9,10-diphenylanthracen-2-yl)-diphenylsilane
CID 156630661
dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane
CID 123493288
diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
CID 177495996
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
(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane
CID 59348733
triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane
CID 176639452
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
[9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane
CID 122381660
CID 158909603
CID 158909603
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
CID 58722457

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane?
The IUPAC name of triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane (CID 172555505) is triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane?
The canonical SMILES for triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane is O=Pc1ccc(-c2c3ccccc3c(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane?
The InChIKey is OGAGCMAXAAONIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31OPSi/c45-46-34-28-24-32(25-29-34)43-39-20-10-12-22-41(39)44(42-23-13-11-21-40(42)43)33-26-30-38(31-27-33)47(35-14-4-1-5-15-35,36-16-6-2-7-17-36)37-18-8-3-9-19-37/h1-31H.
What are the key properties of triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane?
triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane has a molecular weight of 634.79 g/mol, XLogP of 8.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-[10-(4-phosphorosophenyl)anthracen-9-yl]phenyl]silane is sourced from PubChem (CID 172555505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).