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

C144H85N15O3S3 — CID 160957839

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C52H31N5OS.2C46H27N5OS/c1-3-13-33(14-4-1)49-54-50(34-27-25-32(26-28-34)37-18-11-19-39-38-17-7-10-24-46(38)59-48(37)39)56-51(55-49)40-20-12-23-45-47(40)41-31-35(29-30-44(41)58-45)52-53-42-21-8-9-22-43(42)57(52)36-15-5-2-6-16-36;1-3-13-28(14-4-1)43-48-44(50-45(49-43)33-19-12-24-40-42(33)31-17-7-10-23-39(31)53-40)32-18-11-22-38-41(32)34-27-29(25-26-37(34)52-38)46-47-35-20-8-9-21-36(35)51(46)30-15-5-2-6-16-30;1-3-12-28(13-4-1)43-48-44(29-23-25-41-34(26-29)32-16-7-10-21-40(32)53-41)50-45(49-43)33-17-11-20-39-42(33)35-27-30(22-24-38(35)52-39)46-47-36-18-8-9-19-37(36)51(46)31-14-5-2-6-15-31/h1-31H;2*1-27H
InChIKeySWPWYDJWIFZMDN-UHFFFAOYSA-N
MW2169.57 g/mol
LogP38.10
Rot. Bonds16

About 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

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 (PubChem CID 160957839) has the molecular formula C144H85N15O3S3 and a molecular weight of 2169.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160957839
Molecular FormulaC144H85N15O3S3
Molecular Weight2169.57 g/mol
Exact Mass2167.61
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C52H31N5OS.2C46H27N5OS/c1-3-13-33(14-4-1)49-54-50(34-27-25-32(26-28-34)37-18-11-19-39-38-17-7-10-24-46(38)59-48(37)39)56-51(55-49)40-20-12-23-45-47(40)41-31-35(29-30-44(41)58-45)52-53-42-21-8-9-22-43(42)57(52)36-15-5-2-6-16-36;1-3-13-28(14-4-1)43-48-44(50-45(49-43)33-19-12-24-40-42(33)31-17-7-10-23-39(31)53-40)32-18-11-22-38-41(32)34-27-29(25-26-37(34)52-38)46-47-35-20-8-9-21-36(35)51(46)30-15-5-2-6-16-30;1-3-12-28(13-4-1)43-48-44(29-23-25-41-34(26-29)32-16-7-10-21-40(32)53-41)50-45(49-43)33-17-11-20-39-42(33)35-27-30(22-24-38(35)52-39)46-47-36-18-8-9-19-37(36)51(46)31-14-5-2-6-15-31/h1-31H;2*1-27H
InChIKeySWPWYDJWIFZMDN-UHFFFAOYSA-N
XLogP38.10
TPSA208.89 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002169.57
LogP ≤ 538.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

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-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 147448263
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 158170833
2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147878529
2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147371155
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
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
CID 129292117
2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 118507834
3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768786

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is SWPWYDJWIFZMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5OS.2C46H27N5OS/c1-3-13-33(14-4-1)49-54-50(34-27-25-32(26-28-34)37-18-11-19-39-38-17-7-10-24-46(38)59-48(37)39)56-51(55-49)40-20-12-23-45-47(40)41-31-35(29-30-44(41)58-45)52-53-42-21-8-9-22-43(42)57(52)36-15-5-2-6-16-36;1-3-13-28(14-4-1)43-48-44(50-45(49-43)33-19-12-24-40-42(33)31-17-7-10-23-39(31)53-40)32-18-11-22-38-41(32)34-27-29(25-26-37(34)52-38)46-47-35-20-8-9-21-36(35)51(46)30-15-5-2-6-16-30;1-3-12-28(13-4-1)43-48-44(29-23-25-41-34(26-29)32-16-7-10-21-40(32)53-41)50-45(49-43)33-17-11-20-39-42(33)35-27-30(22-24-38(35)52-39)46-47-36-18-8-9-19-37(36)51(46)31-14-5-2-6-15-31/h1-31H;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 2169.57 g/mol, XLogP of 38.10, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160957839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).