tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane

C59H57N5O2Si2 — CID 89211712

IUPACtert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2c3ccccc3c(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ncccc34)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2cccnc12
InChIInChI=1S/C59H57N5O2Si2/c1-58(2,3)67(7,8)65-49-33-31-43(46-27-19-35-60-53(46)49)51-41-25-17-18-26-42(41)52(44-32-34-50(54-47(44)28-20-36-61-54)66-68(9,10)59(4,5)6)48-37-40(29-30-45(48)51)57-63-55(38-21-13-11-14-22-38)62-56(64-57)39-23-15-12-16-24-39/h11-37H,1-10H3
InChIKeyBHKSZFQSXJLXPG-UHFFFAOYSA-N
MW924.31 g/mol
LogP16.38
Rot. Bonds9

About tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane

tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane (PubChem CID 89211712) has the molecular formula C59H57N5O2Si2 and a molecular weight of 924.31 g/mol. Its IUPAC name is tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane
PubChem CID89211712
Molecular FormulaC59H57N5O2Si2
Molecular Weight924.31 g/mol
Exact Mass923.41
IUPAC Nametert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2c3ccccc3c(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ncccc34)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2cccnc12
InChIInChI=1S/C59H57N5O2Si2/c1-58(2,3)67(7,8)65-49-33-31-43(46-27-19-35-60-53(46)49)51-41-25-17-18-26-42(41)52(44-32-34-50(54-47(44)28-20-36-61-54)66-68(9,10)59(4,5)6)48-37-40(29-30-45(48)51)57-63-55(38-21-13-11-14-22-38)62-56(64-57)39-23-15-12-16-24-39/h11-37H,1-10H3
InChIKeyBHKSZFQSXJLXPG-UHFFFAOYSA-N
XLogP16.38
TPSA82.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.31
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane (CID 89211712) is tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2c3ccccc3c(-c3ccc(O[Si](C)(C)C(C)(C)C)c4ncccc34)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2cccnc12.
What is the InChIKey of tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane?
The InChIKey is BHKSZFQSXJLXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H57N5O2Si2/c1-58(2,3)67(7,8)65-49-33-31-43(46-27-19-35-60-53(46)49)51-41-25-17-18-26-42(41)52(44-32-34-50(54-47(44)28-20-36-61-54)66-68(9,10)59(4,5)6)48-37-40(29-30-45(48)51)57-63-55(38-21-13-11-14-22-38)62-56(64-57)39-23-15-12-16-24-39/h11-37H,1-10H3.
What are the key properties of tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane?
tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane has a molecular weight of 924.31 g/mol, XLogP of 16.38, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane is sourced from PubChem (CID 89211712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).