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

C150H92N12OS3 — CID 161408262

IUPAC2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7nc(-c8ccccc8)c8sc9ccccc9c8c7c6)c5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6sc7ccccc7c6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)cc3)n2)cc1
InChIInChI=1S/C54H32N4OS.C54H34N4S.C42H26N4S/c1-3-13-34(14-4-1)49-51-48(43-20-8-10-24-47(43)60-51)44-32-38(29-30-45(44)55-49)37-17-11-18-39(31-37)54-57-52(35-15-5-2-6-16-35)56-53(58-54)36-27-25-33(26-28-36)40-21-12-22-42-41-19-7-9-23-46(41)59-50(40)42;1-4-14-35(15-5-1)36-26-28-39(29-27-36)53-56-52(38-18-8-3-9-19-38)57-54(58-53)44-23-13-22-42(33-44)40-20-12-21-41(32-40)43-30-31-47-46(34-43)49-45-24-10-11-25-48(45)59-51(49)50(55-47)37-16-6-2-7-17-37;1-4-13-28(14-5-1)38-39-37(33-19-10-11-22-35(33)47-39)36-32(20-12-21-34(36)43-38)27-23-25-31(26-24-27)42-45-40(29-15-6-2-7-16-29)44-41(46-42)30-17-8-3-9-18-30/h1-32H;1-34H;1-26H
InChIKeyVVDDFVNKXIXLJB-UHFFFAOYSA-N
MW2174.67 g/mol
LogP40.27
Rot. Bonds18

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

2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 161408262) has the molecular formula C150H92N12OS3 and a molecular weight of 2174.67 g/mol. Its IUPAC name is 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

Compound Name2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
PubChem CID161408262
Molecular FormulaC150H92N12OS3
Molecular Weight2174.67 g/mol
Exact Mass2172.67
IUPAC Name2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7nc(-c8ccccc8)c8sc9ccccc9c8c7c6)c5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6sc7ccccc7c6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)cc3)n2)cc1
InChIInChI=1S/C54H32N4OS.C54H34N4S.C42H26N4S/c1-3-13-34(14-4-1)49-51-48(43-20-8-10-24-47(43)60-51)44-32-38(29-30-45(44)55-49)37-17-11-18-39(31-37)54-57-52(35-15-5-2-6-16-35)56-53(58-54)36-27-25-33(26-28-36)40-21-12-22-42-41-19-7-9-23-46(41)59-50(40)42;1-4-14-35(15-5-1)36-26-28-39(29-27-36)53-56-52(38-18-8-3-9-19-38)57-54(58-53)44-23-13-22-42(33-44)40-20-12-21-41(32-40)43-30-31-47-46(34-43)49-45-24-10-11-25-48(45)59-51(49)50(55-47)37-16-6-2-7-17-37;1-4-13-28(14-5-1)38-39-37(33-19-10-11-22-35(33)47-39)36-32(20-12-21-34(36)43-38)27-23-25-31(26-24-27)42-45-40(29-15-6-2-7-16-29)44-41(46-42)30-17-8-3-9-18-30/h1-32H;1-34H;1-26H
InChIKeyVVDDFVNKXIXLJB-UHFFFAOYSA-N
XLogP40.27
TPSA167.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002174.67
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

6-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 160897617
2-(4-dibenzofuran-1-ylphenyl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 159621173
3-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 162124424
2-dibenzofuran-3-yl-6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 153181110
2-(4-dibenzofuran-1-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 159145232
3-dibenzofuran-4-yl-6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159421645
1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 160808607
2-dibenzofuran-4-yl-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;4-dibenzofuran-4-yl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;2-dibenzofuran-4-yl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 160814005
11-[4-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 158757952
1-dibenzofuran-4-yl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 157466605
6-[3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenyl-[1]benzothiolo[2,3-c]quinoline;6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-1-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 160744200
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The IUPAC name of 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 161408262) is 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.
What is the SMILES notation for 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The canonical SMILES for 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7nc(-c8ccccc8)c8sc9ccccc9c8c7c6)c5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccc5nc(-c6ccccc6)c6sc7ccccc7c6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5nc(-c6ccccc6)c6sc7ccccc7c6c45)cc3)n2)cc1.
What is the InChIKey of 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
The InChIKey is VVDDFVNKXIXLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4OS.C54H34N4S.C42H26N4S/c1-3-13-34(14-4-1)49-51-48(43-20-8-10-24-47(43)60-51)44-32-38(29-30-45(44)55-49)37-17-11-18-39(31-37)54-57-52(35-15-5-2-6-16-35)56-53(58-54)36-27-25-33(26-28-36)40-21-12-22-42-41-19-7-9-23-46(41)59-50(40)42;1-4-14-35(15-5-1)36-26-28-39(29-27-36)53-56-52(38-18-8-3-9-19-38)57-54(58-53)44-23-13-22-42(33-44)40-20-12-21-41(32-40)43-30-31-47-46(34-43)49-45-24-10-11-25-48(45)59-51(49)50(55-47)37-16-6-2-7-17-37;1-4-13-28(14-5-1)38-39-37(33-19-10-11-22-35(33)47-39)36-32(20-12-21-34(36)43-38)27-23-25-31(26-24-27)42-45-40(29-15-6-2-7-16-29)44-41(46-42)30-17-8-3-9-18-30/h1-32H;1-34H;1-26H.
What are the key properties of 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?
2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 2174.67 g/mol, XLogP of 40.27, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 161408262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).