2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene

C252H150N2O4S3 — CID 158556744

IUPAC2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8c(c7)-c7ccccc7-c7ccccc7-c7ccccc7-8)cccc6c5c4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-c5cccc6c5sc5ccccc56)cc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)cc1-c1ccccc1-2
InChIInChI=1S/C54H33NO.C54H32S.C48H29NO.2C48H28OS/c1-2-13-37(14-3-1)55-51-24-11-10-21-46(51)49-31-34(26-29-52(49)55)35-27-30-53-50(32-35)47-23-12-22-38(54(47)56-53)36-25-28-45-43-19-7-6-17-41(43)39-15-4-5-16-40(39)42-18-8-9-20-44(42)48(45)33-36;1-2-12-38-37(11-1)39-13-3-5-17-43(39)47-25-21-33(29-49(47)45-19-9-7-15-41(38)45)35-23-27-53-51(31-35)52-32-36(24-28-54(52)55-53)34-22-26-48-44-18-6-4-14-40(44)42-16-8-10-20-46(42)50(48)30-34;1-2-13-34-33(12-1)35-14-3-4-16-37(35)39-26-24-30(28-43(39)38-17-6-5-15-36(34)38)32-20-11-21-42-44-29-31(25-27-47(44)50-48(32)42)49-45-22-9-7-18-40(45)41-19-8-10-23-46(41)49;1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-25-23-29(27-43(39)38-16-6-5-14-36(34)38)31-18-9-20-41-44-28-30(24-26-45(44)49-47(31)41)32-19-10-21-42-40-17-7-8-22-46(40)50-48(32)42;1-2-11-34-33(10-1)35-12-3-4-14-37(35)39-23-20-31(28-42(39)38-15-6-5-13-36(34)38)32-17-9-18-41-43-26-29(21-24-45(43)49-48(32)41)30-22-25-47-44(27-30)40-16-7-8-19-46(40)50-47/h1-33H;1-32H;1-29H;2*1-28H/b41-39-,42-40-,45-43-,48-44-;39-37-,41-38-,47-43-,49-45-;2*35-33-,36-34-,39-37-,43-38-;35-33-,36-34-,39-37-,42-38-
InChIKeyHQJRYHFVUWRKQM-NAGOQWKZSA-N
MW3366.18 g/mol
LogP72.70
Rot. Bonds11

About 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene

2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene (PubChem CID 158556744) has the molecular formula C252H150N2O4S3 and a molecular weight of 3366.18 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
PubChem CID158556744
Molecular FormulaC252H150N2O4S3
Molecular Weight3366.18 g/mol
Exact Mass3363.08
IUPAC Name2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8c(c7)-c7ccccc7-c7ccccc7-c7ccccc7-8)cccc6c5c4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-c5cccc6c5sc5ccccc56)cc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)cc1-c1ccccc1-2
InChIInChI=1S/C54H33NO.C54H32S.C48H29NO.2C48H28OS/c1-2-13-37(14-3-1)55-51-24-11-10-21-46(51)49-31-34(26-29-52(49)55)35-27-30-53-50(32-35)47-23-12-22-38(54(47)56-53)36-25-28-45-43-19-7-6-17-41(43)39-15-4-5-16-40(39)42-18-8-9-20-44(42)48(45)33-36;1-2-12-38-37(11-1)39-13-3-5-17-43(39)47-25-21-33(29-49(47)45-19-9-7-15-41(38)45)35-23-27-53-51(31-35)52-32-36(24-28-54(52)55-53)34-22-26-48-44-18-6-4-14-40(44)42-16-8-10-20-46(42)50(48)30-34;1-2-13-34-33(12-1)35-14-3-4-16-37(35)39-26-24-30(28-43(39)38-17-6-5-15-36(34)38)32-20-11-21-42-44-29-31(25-27-47(44)50-48(32)42)49-45-22-9-7-18-40(45)41-19-8-10-23-46(41)49;1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-25-23-29(27-43(39)38-16-6-5-14-36(34)38)31-18-9-20-41-44-28-30(24-26-45(44)49-47(31)41)32-19-10-21-42-40-17-7-8-22-46(40)50-48(32)42;1-2-11-34-33(10-1)35-12-3-4-14-37(35)39-23-20-31(28-42(39)38-15-6-5-13-36(34)38)32-17-9-18-41-43-26-29(21-24-45(43)49-48(32)41)30-22-25-47-44(27-30)40-16-7-8-19-46(40)50-47/h1-33H;1-32H;1-29H;2*1-28H/b41-39-,42-40-,45-43-,48-44-;39-37-,41-38-,47-43-,49-45-;2*35-33-,36-34-,39-37-,43-38-;35-33-,36-34-,39-37-,42-38-
InChIKeyHQJRYHFVUWRKQM-NAGOQWKZSA-N
XLogP72.70
TPSA62.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms261
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003366.18
LogP ≤ 572.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
9-(3-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzofuran-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-dibenzothiophen-2-yl-2-triphenylen-2-ylcarbazole;9-[4-(8-phenyldibenzofuran-4-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159533266
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
2-(9,9-dimethylfluoren-2-yl)triphenylene;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;2-(3,5-diphenylphenyl)triphenylene;2-[3-(3-phenylphenyl)phenyl]triphenylene;2-(3-phenylphenyl)triphenylene;9-triphenylen-2-ylcarbazole;2-triphenylen-2-yldibenzofuran;4-triphenylen-2-yldibenzofuran;2-triphenylen-2-yldibenzothiophene;4-triphenylen-2-yldibenzothiophene
CID 158307851
9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole
CID 170278507
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
6-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-2-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzofuran-4-yl)carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(6-phenyldibenzothiophen-2-yl)carbazole
CID 163586806
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
9-(3-dibenzofuran-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-2-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(3-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-(4-dibenzothiophen-4-ylphenyl)-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-triphenylen-2-ylcarbazole;9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-triphenylen-2-ylcarbazole
CID 159453257

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene?
The IUPAC name of 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene (CID 158556744) is 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene.
What is the SMILES notation for 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene?
The canonical SMILES for 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8c(c7)-c7ccccc7-c7ccccc7-c7ccccc7-8)cccc6c5c4)ccc32)cc1.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3ccc4sc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c4c3)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-c5ccc6sc7ccccc7c6c5)cc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-c5cccc6c5sc5ccccc56)cc34)cc1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1ccc(-c3cccc4c3oc3ccc(-n5c6ccccc6c6ccccc65)cc34)cc1-c1ccccc1-2.
What is the InChIKey of 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene?
The InChIKey is HQJRYHFVUWRKQM-NAGOQWKZSA-N. The full InChI is InChI=1S/C54H33NO.C54H32S.C48H29NO.2C48H28OS/c1-2-13-37(14-3-1)55-51-24-11-10-21-46(51)49-31-34(26-29-52(49)55)35-27-30-53-50(32-35)47-23-12-22-38(54(47)56-53)36-25-28-45-43-19-7-6-17-41(43)39-15-4-5-16-40(39)42-18-8-9-20-44(42)48(45)33-36;1-2-12-38-37(11-1)39-13-3-5-17-43(39)47-25-21-33(29-49(47)45-19-9-7-15-41(38)45)35-23-27-53-51(31-35)52-32-36(24-28-54(52)55-53)34-22-26-48-44-18-6-4-14-40(44)42-16-8-10-20-46(42)50(48)30-34;1-2-13-34-33(12-1)35-14-3-4-16-37(35)39-26-24-30(28-43(39)38-17-6-5-15-36(34)38)32-20-11-21-42-44-29-31(25-27-47(44)50-48(32)42)49-45-22-9-7-18-40(45)41-19-8-10-23-46(41)49;1-2-12-34-33(11-1)35-13-3-4-15-37(35)39-25-23-29(27-43(39)38-16-6-5-14-36(34)38)31-18-9-20-41-44-28-30(24-26-45(44)49-47(31)41)32-19-10-21-42-40-17-7-8-22-46(40)50-48(32)42;1-2-11-34-33(10-1)35-12-3-4-14-37(35)39-23-20-31(28-42(39)38-15-6-5-13-36(34)38)32-17-9-18-41-43-26-29(21-24-45(43)49-48(32)41)30-22-25-47-44(27-30)40-16-7-8-19-46(40)50-47/h1-33H;1-32H;1-29H;2*1-28H/b41-39-,42-40-,45-43-,48-44-;39-37-,41-38-,47-43-,49-45-;2*35-33-,36-34-,39-37-,43-38-;35-33-,36-34-,39-37-,42-38-.
What are the key properties of 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene?
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene has a molecular weight of 3366.18 g/mol, XLogP of 72.70, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene is sourced from PubChem (CID 158556744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).