2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole

C156H93N15O2S4 — CID 157388816

IUPAC2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1
InChIInChI=1S/2C52H31N5OS.C52H31N5S2/c1-3-15-32(16-4-1)49-54-50(34-18-11-17-33(31-34)36-22-12-23-38-37-21-7-10-29-44(37)58-47(36)38)56-51(55-49)40-25-14-30-45-46(40)39-24-13-26-41(48(39)59-45)52-53-42-27-8-9-28-43(42)57(52)35-19-5-2-6-20-35;1-3-14-33(15-4-1)49-54-50(34-30-28-32(29-31-34)36-19-11-20-38-37-18-7-10-26-44(37)58-47(36)38)56-51(55-49)40-22-13-27-45-46(40)39-21-12-23-41(48(39)59-45)52-53-42-24-8-9-25-43(42)57(52)35-16-5-2-6-17-35;1-3-15-32(16-4-1)49-54-50(34-18-11-17-33(31-34)36-22-12-23-38-37-21-7-10-29-44(37)58-47(36)38)56-51(55-49)40-25-14-30-45-46(40)39-24-13-26-41(48(39)59-45)52-53-42-27-8-9-28-43(42)57(52)35-19-5-2-6-20-35/h3*1-31H
InChIKeyBLTGAHMVEZHWGD-UHFFFAOYSA-N
MW2337.83 g/mol
LogP41.91
Rot. Bonds18

About 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole

2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole (PubChem CID 157388816) has the molecular formula C156H93N15O2S4 and a molecular weight of 2337.83 g/mol. Its IUPAC name is 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole
PubChem CID157388816
Molecular FormulaC156H93N15O2S4
Molecular Weight2337.83 g/mol
Exact Mass2335.65
IUPAC Name2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1
InChIInChI=1S/2C52H31N5OS.C52H31N5S2/c1-3-15-32(16-4-1)49-54-50(34-18-11-17-33(31-34)36-22-12-23-38-37-21-7-10-29-44(37)58-47(36)38)56-51(55-49)40-25-14-30-45-46(40)39-24-13-26-41(48(39)59-45)52-53-42-27-8-9-28-43(42)57(52)35-19-5-2-6-20-35;1-3-14-33(15-4-1)49-54-50(34-30-28-32(29-31-34)36-19-11-20-38-37-18-7-10-26-44(37)58-47(36)38)56-51(55-49)40-22-13-27-45-46(40)39-21-12-23-41(48(39)59-45)52-53-42-24-8-9-25-43(42)57(52)35-16-5-2-6-17-35;1-3-15-32(16-4-1)49-54-50(34-18-11-17-33(31-34)36-22-12-23-38-37-21-7-10-29-44(37)58-47(36)38)56-51(55-49)40-25-14-30-45-46(40)39-24-13-26-41(48(39)59-45)52-53-42-27-8-9-28-43(42)57(52)35-19-5-2-6-20-35/h3*1-31H
InChIKeyBLTGAHMVEZHWGD-UHFFFAOYSA-N
XLogP41.91
TPSA195.75 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002337.83
LogP ≤ 541.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole (CID 157388816) is 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole is c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4sc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1.
What is the InChIKey of 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole?
The InChIKey is BLTGAHMVEZHWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H31N5OS.C52H31N5S2/c1-3-15-32(16-4-1)49-54-50(34-18-11-17-33(31-34)36-22-12-23-38-37-21-7-10-29-44(37)58-47(36)38)56-51(55-49)40-25-14-30-45-46(40)39-24-13-26-41(48(39)59-45)52-53-42-27-8-9-28-43(42)57(52)35-19-5-2-6-20-35;1-3-14-33(15-4-1)49-54-50(34-30-28-32(29-31-34)36-19-11-20-38-37-18-7-10-26-44(37)58-47(36)38)56-51(55-49)40-22-13-27-45-46(40)39-21-12-23-41(48(39)59-45)52-53-42-24-8-9-25-43(42)57(52)35-16-5-2-6-17-35;1-3-15-32(16-4-1)49-54-50(34-18-11-17-33(31-34)36-22-12-23-38-37-21-7-10-29-44(37)58-47(36)38)56-51(55-49)40-25-14-30-45-46(40)39-24-13-26-41(48(39)59-45)52-53-42-27-8-9-28-43(42)57(52)35-19-5-2-6-20-35/h3*1-31H.
What are the key properties of 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole?
2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole has a molecular weight of 2337.83 g/mol, XLogP of 41.91, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 157388816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).