8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline

C196H114N16O4S4 — CID 163415221

IUPAC8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5c6ccccc6nc(-c6ccc7ccccc7c6)c5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C54H32N4OS.2C48H28N4OS.C46H26N4OS/c1-3-12-35(13-4-1)49-48-44-32-39(30-31-47(44)60-51(48)43-17-7-9-20-45(43)55-49)33-22-26-37(27-23-33)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-34(25-29-38)40-18-11-19-42-41-16-8-10-21-46(41)59-50(40)42;1-3-12-30(13-4-1)43-42-38-28-33(26-27-41(38)54-45(42)36-17-7-9-20-39(36)49-43)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)37-19-11-18-35-34-16-8-10-21-40(34)53-44(35)37;1-3-12-30(13-4-1)44-43-37-28-33(26-27-41(37)54-45(43)34-16-7-9-19-38(34)49-44)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)36-18-11-21-40-42(36)35-17-8-10-20-39(35)53-40;1-2-12-28(13-3-1)44-48-45(50-46(49-44)34-17-10-20-38-40(34)33-16-7-9-19-37(33)51-38)31-23-24-39-35(26-31)41-42(30-22-21-27-11-4-5-14-29(27)25-30)47-36-18-8-6-15-32(36)43(41)52-39/h1-32H;2*1-28H;1-26H
InChIKeyADVDXEFEJZLODM-UHFFFAOYSA-N
MW2885.44 g/mol
LogP53.24
Rot. Bonds20

About 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline

8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline (PubChem CID 163415221) has the molecular formula C196H114N16O4S4 and a molecular weight of 2885.44 g/mol. Its IUPAC name is 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
PubChem CID163415221
Molecular FormulaC196H114N16O4S4
Molecular Weight2885.44 g/mol
Exact Mass2882.81
IUPAC Name8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5c6ccccc6nc(-c6ccc7ccccc7c6)c5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C54H32N4OS.2C48H28N4OS.C46H26N4OS/c1-3-12-35(13-4-1)49-48-44-32-39(30-31-47(44)60-51(48)43-17-7-9-20-45(43)55-49)33-22-26-37(27-23-33)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-34(25-29-38)40-18-11-19-42-41-16-8-10-21-46(41)59-50(40)42;1-3-12-30(13-4-1)43-42-38-28-33(26-27-41(38)54-45(42)36-17-7-9-20-39(36)49-43)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)37-19-11-18-35-34-16-8-10-21-40(34)53-44(35)37;1-3-12-30(13-4-1)44-43-37-28-33(26-27-41(37)54-45(43)34-16-7-9-19-38(34)49-44)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)36-18-11-21-40-42(36)35-17-8-10-20-39(35)53-40;1-2-12-28(13-3-1)44-48-45(50-46(49-44)34-17-10-20-38-40(34)33-16-7-9-19-37(33)51-38)31-23-24-39-35(26-31)41-42(30-22-21-27-11-4-5-14-29(27)25-30)47-36-18-8-6-15-32(36)43(41)52-39/h1-32H;2*1-28H;1-26H
InChIKeyADVDXEFEJZLODM-UHFFFAOYSA-N
XLogP53.24
TPSA258.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002885.44
LogP ≤ 553.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline (CID 163415221) is 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6c7ccccc7nc(-c7ccccc7)c6c5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5c6ccccc6nc(-c6ccc7ccccc7c6)c5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is ADVDXEFEJZLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4OS.2C48H28N4OS.C46H26N4OS/c1-3-12-35(13-4-1)49-48-44-32-39(30-31-47(44)60-51(48)43-17-7-9-20-45(43)55-49)33-22-26-37(27-23-33)53-56-52(36-14-5-2-6-15-36)57-54(58-53)38-28-24-34(25-29-38)40-18-11-19-42-41-16-8-10-21-46(41)59-50(40)42;1-3-12-30(13-4-1)43-42-38-28-33(26-27-41(38)54-45(42)36-17-7-9-20-39(36)49-43)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)37-19-11-18-35-34-16-8-10-21-40(34)53-44(35)37;1-3-12-30(13-4-1)44-43-37-28-33(26-27-41(37)54-45(43)34-16-7-9-19-38(34)49-44)29-22-24-32(25-23-29)47-50-46(31-14-5-2-6-15-31)51-48(52-47)36-18-11-21-40-42(36)35-17-8-10-20-39(35)53-40;1-2-12-28(13-3-1)44-48-45(50-46(49-44)34-17-10-20-38-40(34)33-16-7-9-19-37(33)51-38)31-23-24-39-35(26-31)41-42(30-22-21-27-11-4-5-14-29(27)25-30)47-36-18-8-6-15-32(36)43(41)52-39/h1-32H;2*1-28H;1-26H.
What are the key properties of 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline?
8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 2885.44 g/mol, XLogP of 53.24, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline;8-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 163415221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).