6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline

C96H54N8OS3 — CID 155018957

IUPAC6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cc(-c5ccc(-c6nc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)nc(-c7cccc(-c8nc9ccccc9c9c8sc8ccccc89)c7)n6)cc5)cc(-c5nc6ccccc6c6c5sc5ccccc56)c4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C96H54N8OS3/c1-2-19-58(20-3-1)91-99-94(104-96(103-91)76-32-18-31-71-69-24-7-13-36-80(69)106-88(71)76)60-47-41-56(42-48-60)65-52-64(53-66(54-65)86-90-84(73-26-5-11-34-78(73)98-86)75-28-9-15-38-82(75)108-90)55-39-45-59(46-40-55)92-100-93(61-49-43-57(44-50-61)67-29-17-30-70-68-23-6-12-35-79(68)105-87(67)70)102-95(101-92)63-22-16-21-62(51-63)85-89-83(72-25-4-10-33-77(72)97-85)74-27-8-14-37-81(74)107-89/h1-54H
InChIKeyAMSMLINXBQERFO-UHFFFAOYSA-N
MW1431.74 g/mol
LogP26.49
Rot. Bonds11

About 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline

6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 155018957) has the molecular formula C96H54N8OS3 and a molecular weight of 1431.74 g/mol. Its IUPAC name is 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
PubChem CID155018957
Molecular FormulaC96H54N8OS3
Molecular Weight1431.74 g/mol
Exact Mass1430.36
IUPAC Name6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cc(-c5ccc(-c6nc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)nc(-c7cccc(-c8nc9ccccc9c9c8sc8ccccc89)c7)n6)cc5)cc(-c5nc6ccccc6c6c5sc5ccccc56)c4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C96H54N8OS3/c1-2-19-58(20-3-1)91-99-94(104-96(103-91)76-32-18-31-71-69-24-7-13-36-80(69)106-88(71)76)60-47-41-56(42-48-60)65-52-64(53-66(54-65)86-90-84(73-26-5-11-34-78(73)98-86)75-28-9-15-38-82(75)108-90)55-39-45-59(46-40-55)92-100-93(61-49-43-57(44-50-61)67-29-17-30-70-68-23-6-12-35-79(68)105-87(67)70)102-95(101-92)63-22-16-21-62(51-63)85-89-83(72-25-4-10-33-77(72)97-85)74-27-8-14-37-81(74)107-89/h1-54H
InChIKeyAMSMLINXBQERFO-UHFFFAOYSA-N
XLogP26.49
TPSA116.26 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001431.74
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 155018957) is 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4cc(-c5ccc(-c6nc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)nc(-c7cccc(-c8nc9ccccc9c9c8sc8ccccc89)c7)n6)cc5)cc(-c5nc6ccccc6c6c5sc5ccccc56)c4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is AMSMLINXBQERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N8OS3/c1-2-19-58(20-3-1)91-99-94(104-96(103-91)76-32-18-31-71-69-24-7-13-36-80(69)106-88(71)76)60-47-41-56(42-48-60)65-52-64(53-66(54-65)86-90-84(73-26-5-11-34-78(73)98-86)75-28-9-15-38-82(75)108-90)55-39-45-59(46-40-55)92-100-93(61-49-43-57(44-50-61)67-29-17-30-70-68-23-6-12-35-79(68)105-87(67)70)102-95(101-92)63-22-16-21-62(51-63)85-89-83(72-25-4-10-33-77(72)97-85)74-27-8-14-37-81(74)107-89/h1-54H.
What are the key properties of 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1431.74 g/mol, XLogP of 26.49, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[4-[3-([1]benzothiolo[2,3-c]quinolin-6-yl)-5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-(4-dibenzofuran-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 155018957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).