2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine

C146H91N11S3 — CID 160884959

IUPAC2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C51H31N3S.C49H31N3S.C46H29N5S/c1-2-11-34(12-3-1)49-52-50(54-51(53-49)36-27-23-33(24-28-36)38-18-10-19-45-44-17-8-9-20-47(44)55-48(38)45)35-25-21-32(22-26-35)37-29-30-43-41-15-5-4-13-39(41)40-14-6-7-16-42(40)46(43)31-37;1-2-9-37(10-3-1)47-50-48(52-49(51-47)39-25-20-35(21-26-39)41-27-22-32-8-4-5-11-40(32)30-41)38-23-18-34(19-24-38)33-14-16-36(17-15-33)42-28-29-46-44(31-42)43-12-6-7-13-45(43)53-46;1-3-11-31(12-4-1)43-48-44(32-21-19-30(20-22-32)35-25-28-42-38(29-35)37-15-7-10-18-41(37)52-42)50-45(49-43)33-23-26-36(27-24-33)51-40-17-9-8-16-39(40)47-46(51)34-13-5-2-6-14-34/h1-31H;1-31H;1-29H
InChIKeySNNBZBVZWOLHEI-UHFFFAOYSA-N
MW2095.61 g/mol
LogP39.34
Rot. Bonds17

About 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine

2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 160884959) has the molecular formula C146H91N11S3 and a molecular weight of 2095.61 g/mol. Its IUPAC name is 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
PubChem CID160884959
Molecular FormulaC146H91N11S3
Molecular Weight2095.61 g/mol
Exact Mass2093.66
IUPAC Name2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C51H31N3S.C49H31N3S.C46H29N5S/c1-2-11-34(12-3-1)49-52-50(54-51(53-49)36-27-23-33(24-28-36)38-18-10-19-45-44-17-8-9-20-47(44)55-48(38)45)35-25-21-32(22-26-35)37-29-30-43-41-15-5-4-13-39(41)40-14-6-7-16-42(40)46(43)31-37;1-2-9-37(10-3-1)47-50-48(52-49(51-47)39-25-20-35(21-26-39)41-27-22-32-8-4-5-11-40(32)30-41)38-23-18-34(19-24-38)33-14-16-36(17-15-33)42-28-29-46-44(31-42)43-12-6-7-13-45(43)53-46;1-3-11-31(12-4-1)43-48-44(32-21-19-30(20-22-32)35-25-28-42-38(29-35)37-15-7-10-18-41(37)52-42)50-45(49-43)33-23-26-36(27-24-33)51-40-17-9-8-16-39(40)47-46(51)34-13-5-2-6-14-34/h1-31H;1-31H;1-29H
InChIKeySNNBZBVZWOLHEI-UHFFFAOYSA-N
XLogP39.34
TPSA133.83 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.61
LogP ≤ 539.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
CID 155356641
3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 161474425
2-[9-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 160957839
2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147878529
9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 161368437
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzothiophen-2-yl]carbazole;9-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 157448402
6-[3,5-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline;6-[3,5-di(dibenzothiophen-4-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159111019
2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 145097430
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
2,4-bis(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine
CID 159098528
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 160959222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 160884959) is 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is SNNBZBVZWOLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3S.C49H31N3S.C46H29N5S/c1-2-11-34(12-3-1)49-52-50(54-51(53-49)36-27-23-33(24-28-36)38-18-10-19-45-44-17-8-9-20-47(44)55-48(38)45)35-25-21-32(22-26-35)37-29-30-43-41-15-5-4-13-39(41)40-14-6-7-16-42(40)46(43)31-37;1-2-9-37(10-3-1)47-50-48(52-49(51-47)39-25-20-35(21-26-39)41-27-22-32-8-4-5-11-40(32)30-41)38-23-18-34(19-24-38)33-14-16-36(17-15-33)42-28-29-46-44(31-42)43-12-6-7-13-45(43)53-46;1-3-11-31(12-4-1)43-48-44(32-21-19-30(20-22-32)35-25-28-42-38(29-35)37-15-7-10-18-41(37)52-42)50-45(49-43)33-23-26-36(27-24-33)51-40-17-9-8-16-39(40)47-46(51)34-13-5-2-6-14-34/h1-31H;1-31H;1-29H.
What are the key properties of 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 2095.61 g/mol, XLogP of 39.34, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160884959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).