1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran

C72H38O3S3 — CID 137466636

IUPAC1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran
SMILESc1cc(-c2cccc3c2sc2ccccc23)c2c(c1)oc1cc(-c3ccc4c(c3)sc3cc(-c5cccc6c5oc5ccc(-c7cccc8c7oc7c(-c9cccc%10sc%11ccccc%11c9%10)cccc78)cc56)ccc34)ccc12
InChIInChI=1S/C72H38O3S3/c1-3-24-62-45(11-1)54-21-8-22-55(72(54)78-62)49-15-9-23-60-67(49)56-33-28-39(36-61(56)73-60)40-27-31-46-47-32-29-42(38-66(47)77-65(46)37-40)44-14-6-20-53-58-35-41(30-34-59(58)74-69(44)53)43-13-5-18-51-52-19-7-17-50(71(52)75-70(43)51)48-16-10-26-64-68(48)57-12-2-4-25-63(57)76-64/h1-38H
InChIKeyWMBFZZJXYQMDRX-UHFFFAOYSA-N
MW1047.29 g/mol
LogP22.82
Rot. Bonds5

About 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran

1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran (PubChem CID 137466636) has the molecular formula C72H38O3S3 and a molecular weight of 1047.29 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran.

Molecular Properties

Compound Name1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran
PubChem CID137466636
Molecular FormulaC72H38O3S3
Molecular Weight1047.29 g/mol
Exact Mass1046.20
IUPAC Name1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran
SMILESc1cc(-c2cccc3c2sc2ccccc23)c2c(c1)oc1cc(-c3ccc4c(c3)sc3cc(-c5cccc6c5oc5ccc(-c7cccc8c7oc7c(-c9cccc%10sc%11ccccc%11c9%10)cccc78)cc56)ccc34)ccc12
InChIInChI=1S/C72H38O3S3/c1-3-24-62-45(11-1)54-21-8-22-55(72(54)78-62)49-15-9-23-60-67(49)56-33-28-39(36-61(56)73-60)40-27-31-46-47-32-29-42(38-66(47)77-65(46)37-40)44-14-6-20-53-58-35-41(30-34-59(58)74-69(44)53)43-13-5-18-51-52-19-7-17-50(71(52)75-70(43)51)48-16-10-26-64-68(48)57-12-2-4-25-63(57)76-64/h1-38H
InChIKeyWMBFZZJXYQMDRX-UHFFFAOYSA-N
XLogP22.82
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.29
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran with MolForge

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Related Compounds

2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran
CID 165009748
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 159808130
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 159607952
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 163712532
9-[4-(6-dibenzofuran-1-yldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(6-dibenzofuran-3-yldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-1-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-3-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzothiophen-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 159584337
2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9-dibenzothiophen-4-yldibenzothiophen-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158691647
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 158804411
3-dibenzofuran-4-yl-7-(4-dibenzothiophen-2-ylphenyl)dibenzofuran;2-[3-[7-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]phenyl]dibenzofuran;2-[3-(7-dibenzothiophen-3-yldibenzothiophen-3-yl)phenyl]dibenzofuran;3-dibenzothiophen-3-yl-7-(1-phenyldibenzothiophen-3-yl)dibenzofuran
CID 165104594
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
4-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene;2-phenyl-8-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzofuran;4-phenyl-6-triphenylen-2-yldibenzothiophene;2-triphenylen-2-yldibenzofuran
CID 158113882
2-[9-(6-dibenzothiophen-4-yldibenzofuran-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159898357
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 164950013

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran?
The IUPAC name of 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran (CID 137466636) is 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran.
What is the SMILES notation for 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran?
The canonical SMILES for 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran is c1cc(-c2cccc3c2sc2ccccc23)c2c(c1)oc1cc(-c3ccc4c(c3)sc3cc(-c5cccc6c5oc5ccc(-c7cccc8c7oc7c(-c9cccc%10sc%11ccccc%11c9%10)cccc78)cc56)ccc34)ccc12.
What is the InChIKey of 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran?
The InChIKey is WMBFZZJXYQMDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H38O3S3/c1-3-24-62-45(11-1)54-21-8-22-55(72(54)78-62)49-15-9-23-60-67(49)56-33-28-39(36-61(56)73-60)40-27-31-46-47-32-29-42(38-66(47)77-65(46)37-40)44-14-6-20-53-58-35-41(30-34-59(58)74-69(44)53)43-13-5-18-51-52-19-7-17-50(71(52)75-70(43)51)48-16-10-26-64-68(48)57-12-2-4-25-63(57)76-64/h1-38H.
What are the key properties of 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran?
1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran has a molecular weight of 1047.29 g/mol, XLogP of 22.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-4-yl-7-[7-[8-(6-dibenzothiophen-1-yldibenzofuran-4-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]dibenzofuran is sourced from PubChem (CID 137466636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).