3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]

C41H24O2S — CID 177298908

IUPAC3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-c4cccc5c4sc4ccccc45)o3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C41H24O2S/c1-4-15-31-26(10-1)27-11-2-5-16-32(27)41(31)33-17-6-7-18-37(33)43-38-24-25(20-21-34(38)41)35-22-23-36(42-35)30-14-9-13-29-28-12-3-8-19-39(28)44-40(29)30/h1-24H
InChIKeyRGBMJQFNIVVJCS-UHFFFAOYSA-N
MW580.71 g/mol
LogP11.45
Rot. Bonds2

About 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]

3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 177298908) has the molecular formula C41H24O2S and a molecular weight of 580.71 g/mol. Its IUPAC name is 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID177298908
Molecular FormulaC41H24O2S
Molecular Weight580.71 g/mol
Exact Mass580.15
IUPAC Name3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-c4cccc5c4sc4ccccc45)o3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C41H24O2S/c1-4-15-31-26(10-1)27-11-2-5-16-32(27)41(31)33-17-6-7-18-37(33)43-38-24-25(20-21-34(38)41)35-22-23-36(42-35)30-14-9-13-29-28-12-3-8-19-39(28)44-40(29)30/h1-24H
InChIKeyRGBMJQFNIVVJCS-UHFFFAOYSA-N
XLogP11.45
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene
CID 177297791
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
3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene
CID 177298575
2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 166024897
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]
CID 129309053
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzothiole-11,9'-xanthene]-3'-yl-1,3,5-triazine
CID 167340503
4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137388664
4-dibenzothiophen-4-yl-6-[2-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167349367
2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167685716
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747

Frequently Asked Questions

What is the IUPAC name of 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene] (CID 177298908) is 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1cc(-c3ccc(-c4cccc5c4sc4ccccc45)o3)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is RGBMJQFNIVVJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24O2S/c1-4-15-31-26(10-1)27-11-2-5-16-32(27)41(31)33-17-6-7-18-37(33)43-38-24-25(20-21-34(38)41)35-22-23-36(42-35)30-14-9-13-29-28-12-3-8-19-39(28)44-40(29)30/h1-24H.
What are the key properties of 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]?
3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 580.71 g/mol, XLogP of 11.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177298908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).