4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene

C144H84OS5 — CID 160970567

IUPAC4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3cccc4c3sc3ccccc34)ccc1-2
InChIInChI=1S/C48H28OS.2C48H28S2/c1-2-12-35-33(10-1)34-11-3-4-13-36(34)42-26-29(30-22-25-47-44(27-30)40-15-6-8-19-46(40)50-47)20-23-38(42)43-28-31(21-24-37(35)43)32-16-9-17-41-39-14-5-7-18-45(39)49-48(32)41;1-2-12-35-33(10-1)34-11-3-4-13-36(34)42-26-29(30-22-25-47-44(27-30)40-15-6-7-18-45(40)49-47)20-23-38(42)43-28-31(21-24-37(35)43)32-16-9-17-41-39-14-5-8-19-46(39)50-48(32)41;1-2-11-35-33(9-1)34-10-3-4-12-36(34)41-25-30(32-20-24-48-44(28-32)40-14-6-8-16-46(40)50-48)18-22-38(41)42-26-29(17-21-37(35)42)31-19-23-47-43(27-31)39-13-5-7-15-45(39)49-47/h3*1-28H/b2*34-33-,37-35-,42-36-,43-38-;34-33-,37-35-,41-36-,42-38-
InChIKeySYEVVHHQYYKOIX-PJHHVYLMSA-N
MW1990.59 g/mol
LogP43.74
Rot. Bonds6

About 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene

4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene (PubChem CID 160970567) has the molecular formula C144H84OS5 and a molecular weight of 1990.59 g/mol. Its IUPAC name is 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene.

Molecular Properties

Compound Name4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
PubChem CID160970567
Molecular FormulaC144H84OS5
Molecular Weight1990.59 g/mol
Exact Mass1988.51
IUPAC Name4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3cccc4c3sc3ccccc34)ccc1-2
InChIInChI=1S/C48H28OS.2C48H28S2/c1-2-12-35-33(10-1)34-11-3-4-13-36(34)42-26-29(30-22-25-47-44(27-30)40-15-6-8-19-46(40)50-47)20-23-38(42)43-28-31(21-24-37(35)43)32-16-9-17-41-39-14-5-7-18-45(39)49-48(32)41;1-2-12-35-33(10-1)34-11-3-4-13-36(34)42-26-29(30-22-25-47-44(27-30)40-15-6-7-18-45(40)49-47)20-23-38(42)43-28-31(21-24-37(35)43)32-16-9-17-41-39-14-5-8-19-46(39)50-48(32)41;1-2-11-35-33(9-1)34-10-3-4-12-36(34)41-25-30(32-20-24-48-44(28-32)40-14-6-8-16-46(40)50-48)18-22-38(41)42-26-29(17-21-37(35)42)31-19-23-47-43(27-31)39-13-5-7-15-45(39)49-47/h3*1-28H/b2*34-33-,37-35-,42-36-,43-38-;34-33-,37-35-,41-36-,42-38-
InChIKeySYEVVHHQYYKOIX-PJHHVYLMSA-N
XLogP43.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001990.59
LogP ≤ 543.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene with MolForge

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Related Compounds

4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
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
13,27-bis(3-dibenzothiophen-4-ylphenyl)-20-oxanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene;13,27-bis(3-dibenzothiophen-4-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene;4-(27-dibenzofuran-4-yl-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl)dibenzofuran;13,27-di(dibenzothiophen-2-yl)-20-oxanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene;13,27-di(dibenzothiophen-4-yl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene
CID 160796872
4-(2'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2-yl)dibenzofuran
CID 59133493
4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158800046
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
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
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158111097
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 165023327

Frequently Asked Questions

What is the IUPAC name of 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene?
The IUPAC name of 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene (CID 160970567) is 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene.
What is the SMILES notation for 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene?
The canonical SMILES for 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene is c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3cccc4c3oc3ccccc34)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4sc5ccccc5c4c3)ccc1-c1cc(-c3cccc4c3sc3ccccc34)ccc1-2.
What is the InChIKey of 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene?
The InChIKey is SYEVVHHQYYKOIX-PJHHVYLMSA-N. The full InChI is InChI=1S/C48H28OS.2C48H28S2/c1-2-12-35-33(10-1)34-11-3-4-13-36(34)42-26-29(30-22-25-47-44(27-30)40-15-6-8-19-46(40)50-47)20-23-38(42)43-28-31(21-24-37(35)43)32-16-9-17-41-39-14-5-7-18-45(39)49-48(32)41;1-2-12-35-33(10-1)34-11-3-4-13-36(34)42-26-29(30-22-25-47-44(27-30)40-15-6-7-18-45(40)49-47)20-23-38(42)43-28-31(21-24-37(35)43)32-16-9-17-41-39-14-5-8-19-46(39)50-48(32)41;1-2-11-35-33(9-1)34-10-3-4-12-36(34)41-25-30(32-20-24-48-44(28-32)40-14-6-8-16-46(40)50-48)18-22-38(41)42-26-29(17-21-37(35)42)31-19-23-47-43(27-31)39-13-5-7-15-45(39)49-47/h3*1-28H/b2*34-33-,37-35-,42-36-,43-38-;34-33-,37-35-,41-36-,42-38-.
What are the key properties of 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene?
4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene has a molecular weight of 1990.59 g/mol, XLogP of 43.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(14-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzofuran;2-(6-dibenzothiophen-2-yltetraphenylen-2-yl)dibenzothiophene;2-(6-dibenzothiophen-4-yltetraphenylen-2-yl)dibenzothiophene is sourced from PubChem (CID 160970567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).