2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole

C182H136N8S4 — CID 157387961

IUPAC2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole
SMILESCC(C)(C)c1ccc2sc3c(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)cc(C(C)(C)C)cc3c2c1.CC(C)c1ccc2sc3c(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)cc(C(C)C)cc3c2c1.c1ccc(-c2ccc(-c3ccc4sc5c(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-n2c(-c3cccc(-c4cc(-c5cccc6ccccc56)cc5c4sc4ccc(-c6cccc7ccccc67)cc45)c3)nc3ccccc32)cc1
InChIInChI=1S/C55H36N2S.C51H32N2S.C39H36N2S.C37H32N2S/c1-4-13-37(14-5-1)39-23-27-41(28-24-39)43-31-32-53-49(34-43)50-36-46(42-29-25-40(26-30-42)38-15-6-2-7-16-38)35-48(54(50)58-53)44-17-12-18-45(33-44)55-56-51-21-10-11-22-52(51)57(55)47-19-8-3-9-20-47;1-2-19-39(20-3-1)53-48-26-9-8-25-47(48)52-51(53)37-18-10-17-35(29-37)44-31-38(43-24-12-16-34-14-5-7-22-41(34)43)32-46-45-30-36(27-28-49(45)54-50(44)46)42-23-11-15-33-13-4-6-21-40(33)42;1-38(2,3)27-19-20-35-31(22-27)32-24-28(39(4,5)6)23-30(36(32)42-35)25-13-12-14-26(21-25)37-40-33-17-10-11-18-34(33)41(37)29-15-8-7-9-16-29;1-23(2)25-17-18-35-31(20-25)32-22-28(24(3)4)21-30(36(32)40-35)26-11-10-12-27(19-26)37-38-33-15-8-9-16-34(33)39(37)29-13-6-5-7-14-29/h1-36H;1-32H;7-24H,1-6H3;5-24H,1-4H3
InChIKeyBLQQEHNMFDFKKJ-UHFFFAOYSA-N
MW2563.41 g/mol
LogP52.06
Rot. Bonds20

About 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole

2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 157387961) has the molecular formula C182H136N8S4 and a molecular weight of 2563.41 g/mol. Its IUPAC name is 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole
PubChem CID157387961
Molecular FormulaC182H136N8S4
Molecular Weight2563.41 g/mol
Exact Mass2560.98
IUPAC Name2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole
SMILESCC(C)(C)c1ccc2sc3c(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)cc(C(C)(C)C)cc3c2c1.CC(C)c1ccc2sc3c(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)cc(C(C)C)cc3c2c1.c1ccc(-c2ccc(-c3ccc4sc5c(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-n2c(-c3cccc(-c4cc(-c5cccc6ccccc56)cc5c4sc4ccc(-c6cccc7ccccc67)cc45)c3)nc3ccccc32)cc1
InChIInChI=1S/C55H36N2S.C51H32N2S.C39H36N2S.C37H32N2S/c1-4-13-37(14-5-1)39-23-27-41(28-24-39)43-31-32-53-49(34-43)50-36-46(42-29-25-40(26-30-42)38-15-6-2-7-16-38)35-48(54(50)58-53)44-17-12-18-45(33-44)55-56-51-21-10-11-22-52(51)57(55)47-19-8-3-9-20-47;1-2-19-39(20-3-1)53-48-26-9-8-25-47(48)52-51(53)37-18-10-17-35(29-37)44-31-38(43-24-12-16-34-14-5-7-22-41(34)43)32-46-45-30-36(27-28-49(45)54-50(44)46)42-23-11-15-33-13-4-6-21-40(33)42;1-38(2,3)27-19-20-35-31(22-27)32-24-28(39(4,5)6)23-30(36(32)42-35)25-13-12-14-26(21-25)37-40-33-17-10-11-18-34(33)41(37)29-15-8-7-9-16-29;1-23(2)25-17-18-35-31(20-25)32-22-28(24(3)4)21-30(36(32)40-35)26-11-10-12-27(19-26)37-38-33-15-8-9-16-34(33)39(37)29-13-6-5-7-14-29/h1-36H;1-32H;7-24H,1-6H3;5-24H,1-4H3
InChIKeyBLQQEHNMFDFKKJ-UHFFFAOYSA-N
XLogP52.06
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.41
LogP ≤ 552.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole 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
19-tert-butyl-12-[4-(1-phenylbenzimidazol-2-yl)phenyl]-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19-naphthalen-1-yl-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19-phenyl-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene;18,19,20,21-tetradeuterio-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 158912132
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(8-propan-2-yldibenzothiophen-2-yl)benzimidazole
CID 156660137
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
1-(4-tert-butyl-2,6-diphenylphenyl)-2-(7-phenyldibenzothiophen-2-yl)benzimidazole
CID 156657496
2-[4-[2,8-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole
CID 58309641
2-[4-[4-(6-tert-butylnaphthalen-1-yl)-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole;1-[4-[4-naphthalen-2-yl-6-[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[4-(3,4,5-trimethylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-[4-phenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole;2-phenyl-1-[4-[4-phenyl-6-[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 162013546
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
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
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[3-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 159243159
1-phenyl-2-[6-[3-[4-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)-4-[3-[6-phenyl-2-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-1-yl]pyrimidin-4-yl]phenyl]phenyl]-9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]benzimidazole
CID 154970779
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole (CID 157387961) is 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole is CC(C)(C)c1ccc2sc3c(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)cc(C(C)(C)C)cc3c2c1.CC(C)c1ccc2sc3c(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)cc(C(C)C)cc3c2c1.c1ccc(-c2ccc(-c3ccc4sc5c(-c6cccc(-c7nc8ccccc8n7-c7ccccc7)c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-n2c(-c3cccc(-c4cc(-c5cccc6ccccc56)cc5c4sc4ccc(-c6cccc7ccccc67)cc45)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is BLQQEHNMFDFKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2S.C51H32N2S.C39H36N2S.C37H32N2S/c1-4-13-37(14-5-1)39-23-27-41(28-24-39)43-31-32-53-49(34-43)50-36-46(42-29-25-40(26-30-42)38-15-6-2-7-16-38)35-48(54(50)58-53)44-17-12-18-45(33-44)55-56-51-21-10-11-22-52(51)57(55)47-19-8-3-9-20-47;1-2-19-39(20-3-1)53-48-26-9-8-25-47(48)52-51(53)37-18-10-17-35(29-37)44-31-38(43-24-12-16-34-14-5-7-22-41(34)43)32-46-45-30-36(27-28-49(45)54-50(44)46)42-23-11-15-33-13-4-6-21-40(33)42;1-38(2,3)27-19-20-35-31(22-27)32-24-28(39(4,5)6)23-30(36(32)42-35)25-13-12-14-26(21-25)37-40-33-17-10-11-18-34(33)41(37)29-15-8-7-9-16-29;1-23(2)25-17-18-35-31(20-25)32-22-28(24(3)4)21-30(36(32)40-35)26-11-10-12-27(19-26)37-38-33-15-8-9-16-34(33)39(37)29-13-6-5-7-14-29/h1-36H;1-32H;7-24H,1-6H3;5-24H,1-4H3.
What are the key properties of 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole?
2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 2563.41 g/mol, XLogP of 52.06, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzothiophen-4-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 157387961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).