4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C32H18O2S — CID 177299134

IUPAC4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc(-c4cccc5sc6ccccc6c45)o3)ccc1O2
InChIInChI=1S/C32H18O2S/c1-2-12-29-23(8-1)32-22(10-5-13-30(32)35-29)26-17-16-25(33-26)20-14-15-27-24(18-20)21-9-3-6-19-7-4-11-28(34-27)31(19)21/h1-18H
InChIKeyLNENBRWXFLDTBG-UHFFFAOYSA-N
MW466.56 g/mol
LogP9.91
Rot. Bonds2

About 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 177299134) has the molecular formula C32H18O2S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID177299134
Molecular FormulaC32H18O2S
Molecular Weight466.56 g/mol
Exact Mass466.10
IUPAC Name4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc(-c4cccc5sc6ccccc6c45)o3)ccc1O2
InChIInChI=1S/C32H18O2S/c1-2-12-29-23(8-1)32-22(10-5-13-30(32)35-29)26-17-16-25(33-26)20-14-15-27-24(18-20)21-9-3-6-19-7-4-11-28(34-27)31(19)21/h1-18H
InChIKeyLNENBRWXFLDTBG-UHFFFAOYSA-N
XLogP9.91
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Related Compounds

4-(5-dibenzothiophen-4-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177297926
4-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299288
4-(3-dibenzothiophen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299128
2-dibenzothiophen-1-yl-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan
CID 177298838
15-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177298119
15-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177297900
4-[5-(4-phenylphenyl)thiophen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177298217
3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-9H-carbazole
CID 148893383
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenylquinazoline
CID 164936942
4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 176590417
2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164937010
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164937287

Frequently Asked Questions

What is the IUPAC name of 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 177299134) is 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is c1cc2c3c(cccc3c1)-c1cc(-c3ccc(-c4cccc5sc6ccccc6c45)o3)ccc1O2.
What is the InChIKey of 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is LNENBRWXFLDTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18O2S/c1-2-12-29-23(8-1)32-22(10-5-13-30(32)35-29)26-17-16-25(33-26)20-14-15-27-24(18-20)21-9-3-6-19-7-4-11-28(34-27)31(19)21/h1-18H.
What are the key properties of 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 466.56 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-dibenzothiophen-1-ylfuran-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 177299134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).