2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline

C151H91N9O3S3 — CID 159172438

IUPAC2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C55H33N3OS.C51H31N3OS.C45H27N3OS/c1-2-11-36(12-3-1)47-33-48(58-55(57-47)39-28-24-34(25-29-39)40-17-8-13-38-14-10-32-56-52(38)40)37-26-22-35(23-27-37)41-30-31-43(51-46-16-4-6-20-49(46)59-53(41)51)45-19-9-18-44-42-15-5-7-21-50(42)60-54(44)45;1-3-14-32(15-4-1)34-18-11-20-36(30-34)49-52-50(37-21-12-19-35(31-37)33-16-5-2-6-17-33)54-51(53-49)43-29-28-39(47-46(43)42-23-7-9-26-44(42)55-47)41-25-13-24-40-38-22-8-10-27-45(38)56-48(40)41;1-3-13-28(14-4-1)30-17-11-18-31(27-30)44-46-43(29-15-5-2-6-16-29)47-45(48-44)37-26-25-33(41-40(37)36-20-7-9-23-38(36)49-41)35-22-12-21-34-32-19-8-10-24-39(32)50-42(34)35/h1-33H;1-31H;1-27H
InChIKeyKLVYSNRSPSIWCZ-UHFFFAOYSA-N
MW2175.65 g/mol
LogP41.91
Rot. Bonds17

About 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline

2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline (PubChem CID 159172438) has the molecular formula C151H91N9O3S3 and a molecular weight of 2175.65 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
PubChem CID159172438
Molecular FormulaC151H91N9O3S3
Molecular Weight2175.65 g/mol
Exact Mass2173.64
IUPAC Name2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C55H33N3OS.C51H31N3OS.C45H27N3OS/c1-2-11-36(12-3-1)47-33-48(58-55(57-47)39-28-24-34(25-29-39)40-17-8-13-38-14-10-32-56-52(38)40)37-26-22-35(23-27-37)41-30-31-43(51-46-16-4-6-20-49(46)59-53(41)51)45-19-9-18-44-42-15-5-7-21-50(42)60-54(44)45;1-3-14-32(15-4-1)34-18-11-20-36(30-34)49-52-50(37-21-12-19-35(31-37)33-16-5-2-6-17-33)54-51(53-49)43-29-28-39(47-46(43)42-23-7-9-26-44(42)55-47)41-25-13-24-40-38-22-8-10-27-45(38)56-48(40)41;1-3-13-28(14-4-1)30-17-11-18-31(27-30)44-46-43(29-15-5-2-6-16-29)47-45(48-44)37-26-25-33(41-40(37)36-20-7-9-23-38(36)49-41)35-22-12-21-34-32-19-8-10-24-39(32)50-42(34)35/h1-33H;1-31H;1-27H
InChIKeyKLVYSNRSPSIWCZ-UHFFFAOYSA-N
XLogP41.91
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.65
LogP ≤ 541.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline with MolForge

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Related Compounds

2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079373
4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078365
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155078564
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-4-yldibenzofuran-1-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-4-yldibenzofuran-1-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzofuran-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[4-(1-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157170313
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 159359040
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077970
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-dibenzofuran-4-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166952530
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079072

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
The IUPAC name of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline (CID 159172438) is 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline.
What is the SMILES notation for 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
The canonical SMILES for 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
The InChIKey is KLVYSNRSPSIWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3OS.C51H31N3OS.C45H27N3OS/c1-2-11-36(12-3-1)47-33-48(58-55(57-47)39-28-24-34(25-29-39)40-17-8-13-38-14-10-32-56-52(38)40)37-26-22-35(23-27-37)41-30-31-43(51-46-16-4-6-20-49(46)59-53(41)51)45-19-9-18-44-42-15-5-7-21-50(42)60-54(44)45;1-3-14-32(15-4-1)34-18-11-20-36(30-34)49-52-50(37-21-12-19-35(31-37)33-16-5-2-6-17-33)54-51(53-49)43-29-28-39(47-46(43)42-23-7-9-26-44(42)55-47)41-25-13-24-40-38-22-8-10-27-45(38)56-48(40)41;1-3-13-28(14-4-1)30-17-11-18-31(27-30)44-46-43(29-15-5-2-6-16-29)47-45(48-44)37-26-25-33(41-40(37)36-20-7-9-23-38(36)49-41)35-22-12-21-34-32-19-8-10-24-39(32)50-42(34)35/h1-33H;1-31H;1-27H.
What are the key properties of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline has a molecular weight of 2175.65 g/mol, XLogP of 41.91, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline is sourced from PubChem (CID 159172438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).