2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole

C58H35N5S2 — CID 155356641

IUPAC2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc45)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C58H35N5S2/c1-3-13-37(14-4-1)55-60-56(62-57(61-55)42-30-32-52-47(35-42)45-19-7-10-24-51(45)64-52)41-16-11-15-40(33-41)44-20-12-21-46-48-34-39(29-31-53(48)65-54(44)46)36-25-27-38(28-26-36)58-59-49-22-8-9-23-50(49)63(58)43-17-5-2-6-18-43/h1-35H
InChIKeyOWYPMVLSRWDFDK-UHFFFAOYSA-N
MW866.09 g/mol
LogP15.95
Rot. Bonds7

About 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole

2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 155356641) has the molecular formula C58H35N5S2 and a molecular weight of 866.09 g/mol. Its IUPAC name is 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
PubChem CID155356641
Molecular FormulaC58H35N5S2
Molecular Weight866.09 g/mol
Exact Mass865.23
IUPAC Name2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc45)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C58H35N5S2/c1-3-13-37(14-4-1)55-60-56(62-57(61-55)42-30-32-52-47(35-42)45-19-7-10-24-51(45)64-52)41-16-11-15-40(33-41)44-20-12-21-46-48-34-39(29-31-53(48)65-54(44)46)36-25-27-38(28-26-36)58-59-49-22-8-9-23-50(49)63(58)43-17-5-2-6-18-43/h1-35H
InChIKeyOWYPMVLSRWDFDK-UHFFFAOYSA-N
XLogP15.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.09
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
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
2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 146917038
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-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147878529
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
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
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 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) is 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc45)c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is OWYPMVLSRWDFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5S2/c1-3-13-37(14-4-1)55-60-56(62-57(61-55)42-30-32-52-47(35-42)45-19-7-10-24-51(45)64-52)41-16-11-15-40(33-41)44-20-12-21-46-48-34-39(29-31-53(48)65-54(44)46)36-25-27-38(28-26-36)58-59-49-22-8-9-23-50(49)63(58)43-17-5-2-6-18-43/h1-35H.
What are the key properties of 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole?
2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 866.09 g/mol, XLogP of 15.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 155356641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).