2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole

C194H122N12S6 — CID 162005759

IUPAC2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C57H33N3S3.C48H30N2S.C47H30N4S.C42H29N3S/c1-2-10-35(11-3-1)55-58-56(36-20-18-34(19-21-36)37-22-25-52-46(31-37)43-12-4-7-15-49(43)61-52)60-57(59-55)42-29-40(38-23-26-53-47(32-38)44-13-5-8-16-50(44)62-53)28-41(30-42)39-24-27-54-48(33-39)45-14-6-9-17-51(45)63-54;1-2-11-32(12-3-1)44-30-45(33-23-21-31(22-24-33)34-25-26-47-43(28-34)41-19-8-9-20-46(41)51-47)50-48(49-44)37-15-10-14-35(27-37)42-29-36-13-4-5-16-38(36)39-17-6-7-18-40(39)42;1-3-11-32(12-4-1)41-30-42(33-21-19-31(20-22-33)36-25-28-45-39(29-36)38-15-7-10-18-44(38)52-45)49-46(48-41)34-23-26-37(27-24-34)51-43-17-9-8-16-40(43)50-47(51)35-13-5-2-6-14-35;1-42(2)35-14-8-6-12-31(35)32-22-20-30(25-36(32)42)41-44-39(27-10-4-3-5-11-27)43-40(45-41)28-18-16-26(17-19-28)29-21-23-38-34(24-29)33-13-7-9-15-37(33)46-38/h1-33H;1-30H;1-30H;3-25H,1-2H3
InChIKeyYSUSCYYOBVGDSL-UHFFFAOYSA-N
MW2813.60 g/mol
LogP54.20
Rot. Bonds21

About 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole

2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 162005759) has the molecular formula C194H122N12S6 and a molecular weight of 2813.60 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole
PubChem CID162005759
Molecular FormulaC194H122N12S6
Molecular Weight2813.60 g/mol
Exact Mass2810.82
IUPAC Name2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C57H33N3S3.C48H30N2S.C47H30N4S.C42H29N3S/c1-2-10-35(11-3-1)55-58-56(36-20-18-34(19-21-36)37-22-25-52-46(31-37)43-12-4-7-15-49(43)61-52)60-57(59-55)42-29-40(38-23-26-53-47(32-38)44-13-5-8-16-50(44)62-53)28-41(30-42)39-24-27-54-48(33-39)45-14-6-9-17-51(45)63-54;1-2-11-32(12-3-1)44-30-45(33-23-21-31(22-24-33)34-25-26-47-43(28-34)41-19-8-9-20-46(41)51-47)50-48(49-44)37-15-10-14-35(27-37)42-29-36-13-4-5-16-38(36)39-17-6-7-18-40(39)42;1-3-11-32(12-4-1)41-30-42(33-21-19-31(20-22-33)36-25-28-45-39(29-36)38-15-7-10-18-44(38)52-45)49-46(48-41)34-23-26-37(27-24-34)51-43-17-9-8-16-40(43)50-47(51)35-13-5-2-6-14-35;1-42(2)35-14-8-6-12-31(35)32-22-20-30(25-36(32)42)41-44-39(27-10-4-3-5-11-27)43-40(45-41)28-18-16-26(17-19-28)29-21-23-38-34(24-29)33-13-7-9-15-37(33)46-38/h1-33H;1-30H;1-30H;3-25H,1-2H3
InChIKeyYSUSCYYOBVGDSL-UHFFFAOYSA-N
XLogP54.20
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002813.60
LogP ≤ 554.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole with MolForge

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Related Compounds

4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 158309232
4,6-bis[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 160804345
2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585529
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
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-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160548050
4-(4-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158660476
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole (CID 162005759) is 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)n3)cc21.c1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole?
The InChIKey is YSUSCYYOBVGDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3S3.C48H30N2S.C47H30N4S.C42H29N3S/c1-2-10-35(11-3-1)55-58-56(36-20-18-34(19-21-36)37-22-25-52-46(31-37)43-12-4-7-15-49(43)61-52)60-57(59-55)42-29-40(38-23-26-53-47(32-38)44-13-5-8-16-50(44)62-53)28-41(30-42)39-24-27-54-48(33-39)45-14-6-9-17-51(45)63-54;1-2-11-32(12-3-1)44-30-45(33-23-21-31(22-24-33)34-25-26-47-43(28-34)41-19-8-9-20-46(41)51-47)50-48(49-44)37-15-10-14-35(27-37)42-29-36-13-4-5-16-38(36)39-17-6-7-18-40(39)42;1-3-11-32(12-4-1)41-30-42(33-21-19-31(20-22-33)36-25-28-45-39(29-36)38-15-7-10-18-44(38)52-45)49-46(48-41)34-23-26-37(27-24-34)51-43-17-9-8-16-40(43)50-47(51)35-13-5-2-6-14-35;1-42(2)35-14-8-6-12-31(35)32-22-20-30(25-36(32)42)41-44-39(27-10-4-3-5-11-27)43-40(45-41)28-18-16-26(17-19-28)29-21-23-38-34(24-29)33-13-7-9-15-37(33)46-38/h1-33H;1-30H;1-30H;3-25H,1-2H3.
What are the key properties of 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole?
2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 2813.60 g/mol, XLogP of 54.20, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 162005759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).