2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran

C66H42OS — CID 90265513

IUPAC2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
SMILESc1cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)c2)cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c2)c1
InChIInChI=1S/C66H42OS/c1-3-28-63-59(26-1)61-41-57(30-32-64(61)67-63)55-24-10-22-53(39-55)51-20-8-18-49(37-51)47-16-6-14-45(35-47)43-12-5-13-44(34-43)46-15-7-17-48(36-46)50-19-9-21-52(38-50)54-23-11-25-56(40-54)58-31-33-66-62(42-58)60-27-2-4-29-65(60)68-66/h1-42H
InChIKeyNVVAEBTVHKOKSP-UHFFFAOYSA-N
MW883.13 g/mol
LogP19.29
Rot. Bonds8

About 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran

2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran (PubChem CID 90265513) has the molecular formula C66H42OS and a molecular weight of 883.13 g/mol. Its IUPAC name is 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
PubChem CID90265513
Molecular FormulaC66H42OS
Molecular Weight883.13 g/mol
Exact Mass882.30
IUPAC Name2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
SMILESc1cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)c2)cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c2)c1
InChIInChI=1S/C66H42OS/c1-3-28-63-59(26-1)61-41-57(30-32-64(61)67-63)55-24-10-22-53(39-55)51-20-8-18-49(37-51)47-16-6-14-45(35-47)43-12-5-13-44(34-43)46-15-7-17-48(36-46)50-19-9-21-52(38-50)54-23-11-25-56(40-54)58-31-33-66-62(42-58)60-27-2-4-29-65(60)68-66/h1-42H
InChIKeyNVVAEBTVHKOKSP-UHFFFAOYSA-N
XLogP19.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.13
LogP ≤ 519.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
2-dibenzofuran-2-yl-4-(10-dibenzothiophen-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 169294112
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
2-dibenzofuran-2-yl-6-(8-phenyldibenzothiophen-2-yl)pyridine
CID 170670772

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran (CID 90265513) is 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran is c1cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)c2)cc(-c2cccc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c3)c2)c1.
What is the InChIKey of 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran?
The InChIKey is NVVAEBTVHKOKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42OS/c1-3-28-63-59(26-1)61-41-57(30-32-64(61)67-63)55-24-10-22-53(39-55)51-20-8-18-49(37-51)47-16-6-14-45(35-47)43-12-5-13-44(34-43)46-15-7-17-48(36-46)50-19-9-21-52(38-50)54-23-11-25-56(40-54)58-31-33-66-62(42-58)60-27-2-4-29-65(60)68-66/h1-42H.
What are the key properties of 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran?
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran has a molecular weight of 883.13 g/mol, XLogP of 19.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 90265513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).