3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene

C41H26O2S — CID 177297791

IUPAC3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)o4)ccc32)cc1
InChIInChI=1S/C41H26O2S/c1-3-12-28(13-4-1)41(29-14-5-2-6-15-29)33-19-8-9-20-37(33)43-38-26-27(22-23-34(38)41)35-24-25-36(42-35)32-18-11-17-31-30-16-7-10-21-39(30)44-40(31)32/h1-26H
InChIKeyBZYJDAXRLITQEO-UHFFFAOYSA-N
MW582.72 g/mol
LogP11.47
Rot. Bonds4

About 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene

3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene (PubChem CID 177297791) has the molecular formula C41H26O2S and a molecular weight of 582.72 g/mol. Its IUPAC name is 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene
PubChem CID177297791
Molecular FormulaC41H26O2S
Molecular Weight582.72 g/mol
Exact Mass582.17
IUPAC Name3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)o4)ccc32)cc1
InChIInChI=1S/C41H26O2S/c1-3-12-28(13-4-1)41(29-14-5-2-6-15-29)33-19-8-9-20-37(33)43-38-26-27(22-23-34(38)41)35-24-25-36(42-35)32-18-11-17-31-30-16-7-10-21-39(30)44-40(31)32/h1-26H
InChIKeyBZYJDAXRLITQEO-UHFFFAOYSA-N
XLogP11.47
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.72
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177298908
3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene
CID 177298575
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-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene
CID 177298511
3-(5-dibenzofuran-4-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298250
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
4-[4-[4-[9-(4-dibenzothiophen-4-ylphenyl)fluoren-9-yl]phenyl]phenyl]dibenzothiophene
CID 66686478
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
3-(5-dibenzofuran-2-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298345
3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177298182
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639

Frequently Asked Questions

What is the IUPAC name of 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene?
The IUPAC name of 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene (CID 177297791) is 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene?
The canonical SMILES for 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc(-c5cccc6c5sc5ccccc56)o4)ccc32)cc1.
What is the InChIKey of 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene?
The InChIKey is BZYJDAXRLITQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26O2S/c1-3-12-28(13-4-1)41(29-14-5-2-6-15-29)33-19-8-9-20-37(33)43-38-26-27(22-23-34(38)41)35-24-25-36(42-35)32-18-11-17-31-30-16-7-10-21-39(30)44-40(31)32/h1-26H.
What are the key properties of 3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene?
3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene has a molecular weight of 582.72 g/mol, XLogP of 11.47, 4 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)-9,9-diphenylxanthene is sourced from PubChem (CID 177297791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).