2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

C180H106N14O4S3 — CID 167653398

IUPAC2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.N#Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)n1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/2C46H26N4O2.C45H27N3S2.C43H27N3S/c47-27-28-14-16-30(17-15-28)45-48-44(29-8-2-1-3-9-29)49-46(50-45)35-23-33(31-18-20-42-38(25-31)36-10-4-6-12-40(36)51-42)22-34(24-35)32-19-21-43-39(26-32)37-11-5-7-13-41(37)52-43;47-27-31-12-4-5-13-35(31)46-49-44(28-10-2-1-3-11-28)48-45(50-46)34-23-32(29-18-20-42-38(25-29)36-14-6-8-16-40(36)51-42)22-33(24-34)30-19-21-43-39(26-30)37-15-7-9-17-41(37)52-43;1-2-8-30(9-3-1)43-46-44(31-18-14-28(15-19-31)33-22-24-41-37(26-33)35-10-4-6-12-39(35)49-41)48-45(47-43)32-20-16-29(17-21-32)34-23-25-42-38(27-34)36-11-5-7-13-40(36)50-42;1-2-9-31(10-3-1)41-44-42(32-19-14-29(15-20-32)35-23-18-28-8-4-5-11-34(28)26-35)46-43(45-41)33-21-16-30(17-22-33)36-24-25-40-38(27-36)37-12-6-7-13-39(37)47-40/h2*1-26H;1-27H;1-27H
InChIKeyQXEZMOIJPQSCTF-UHFFFAOYSA-N
MW2625.12 g/mol
LogP48.42
Rot. Bonds20

About 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 167653398) has the molecular formula C180H106N14O4S3 and a molecular weight of 2625.12 g/mol. Its IUPAC name is 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID167653398
Molecular FormulaC180H106N14O4S3
Molecular Weight2625.12 g/mol
Exact Mass2622.77
IUPAC Name2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.N#Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)n1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/2C46H26N4O2.C45H27N3S2.C43H27N3S/c47-27-28-14-16-30(17-15-28)45-48-44(29-8-2-1-3-9-29)49-46(50-45)35-23-33(31-18-20-42-38(25-31)36-10-4-6-12-40(36)51-42)22-34(24-35)32-19-21-43-39(26-32)37-11-5-7-13-41(37)52-43;47-27-31-12-4-5-13-35(31)46-49-44(28-10-2-1-3-11-28)48-45(50-46)34-23-32(29-18-20-42-38(25-29)36-14-6-8-16-40(36)51-42)22-33(24-34)30-19-21-43-39(26-30)37-15-7-9-17-41(37)52-43;1-2-8-30(9-3-1)43-46-44(31-18-14-28(15-19-31)33-22-24-41-37(26-33)35-10-4-6-12-39(35)49-41)48-45(47-43)32-20-16-29(17-21-32)34-23-25-42-38(27-34)36-11-5-7-13-40(36)50-42;1-2-9-31(10-3-1)41-44-42(32-19-14-29(15-20-32)35-23-18-28-8-4-5-11-34(28)26-35)46-43(45-41)33-21-16-30(17-22-33)36-24-25-40-38(27-36)37-12-6-7-13-39(37)47-40/h2*1-26H;1-27H;1-27H
InChIKeyQXEZMOIJPQSCTF-UHFFFAOYSA-N
XLogP48.42
TPSA254.82 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.12
LogP ≤ 548.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile with MolForge

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Related Compounds

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 167683609
4-dibenzofuran-2-yl-6-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171585383
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159559181
2-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 166009417
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine;2-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]benzonitrile
CID 165060510
2-dibenzofuran-2-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 177119552
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328436
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (CID 167653398) is 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.N#Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)n1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is QXEZMOIJPQSCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H26N4O2.C45H27N3S2.C43H27N3S/c47-27-28-14-16-30(17-15-28)45-48-44(29-8-2-1-3-9-29)49-46(50-45)35-23-33(31-18-20-42-38(25-31)36-10-4-6-12-40(36)51-42)22-34(24-35)32-19-21-43-39(26-32)37-11-5-7-13-41(37)52-43;47-27-31-12-4-5-13-35(31)46-49-44(28-10-2-1-3-11-28)48-45(50-46)34-23-32(29-18-20-42-38(25-29)36-14-6-8-16-40(36)51-42)22-33(24-34)30-19-21-43-39(26-30)37-15-7-9-17-41(37)52-43;1-2-8-30(9-3-1)43-46-44(31-18-14-28(15-19-31)33-22-24-41-37(26-33)35-10-4-6-12-39(35)49-41)48-45(47-43)32-20-16-29(17-21-32)34-23-25-42-38(27-34)36-11-5-7-13-40(36)50-42;1-2-9-31(10-3-1)41-44-42(32-19-14-29(15-20-32)35-23-18-28-8-4-5-11-34(28)26-35)46-43(45-41)33-21-16-30(17-22-33)36-24-25-40-38(27-36)37-12-6-7-13-39(37)47-40/h2*1-26H;1-27H;1-27H.
What are the key properties of 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 2625.12 g/mol, XLogP of 48.42, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 167653398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).