4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]

C43H24OS — CID 153483760

IUPAC4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1c(-c2ccc4c(c2)sc2ccccc24)cccc13
InChIInChI=1S/C43H24OS/c1-5-16-35-27(10-1)28-11-2-6-17-36(28)43(35)37-18-7-3-12-29(37)33-23-34-32-15-9-14-26(42(32)44-39(34)24-38(33)43)25-20-21-31-30-13-4-8-19-40(30)45-41(31)22-25/h1-24H
InChIKeyCQNZCTSQVNYJCC-UHFFFAOYSA-N
MW588.73 g/mol
LogP11.96
Rot. Bonds1

About 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]

4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] (PubChem CID 153483760) has the molecular formula C43H24OS and a molecular weight of 588.73 g/mol. Its IUPAC name is 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran].

Molecular Properties

Compound Name4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
PubChem CID153483760
Molecular FormulaC43H24OS
Molecular Weight588.73 g/mol
Exact Mass588.15
IUPAC Name4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1c(-c2ccc4c(c2)sc2ccccc24)cccc13
InChIInChI=1S/C43H24OS/c1-5-16-35-27(10-1)28-11-2-6-17-36(28)43(35)37-18-7-3-12-29(37)33-23-34-32-15-9-14-26(42(32)44-39(34)24-38(33)43)25-20-21-31-30-13-4-8-19-40(30)45-41(31)22-25/h1-24H
InChIKeyCQNZCTSQVNYJCC-UHFFFAOYSA-N
XLogP11.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.73
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2-yl)dibenzofuran
CID 59133493
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463415
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
4-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-yldibenzothiophene
CID 122413296
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole
CID 153483775
4-phenyl-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylquinazoline
CID 147565947
3-(3-dibenzofuran-4-ylphenyl)thioxanthen-9-one
CID 69281102
3-[3-dibenzofuran-3-yl-5-[7-[3,5-di(dibenzofuran-3-yl)phenyl]triphenylen-2-yl]phenyl]-6-(7-triphenylen-2-yldibenzothiophen-3-yl)dibenzofuran
CID 137458884
2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
4-(3-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-ylphenyl)dibenzothiophene
CID 122413304

Frequently Asked Questions

What is the IUPAC name of 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The IUPAC name of 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] (CID 153483760) is 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran].
What is the SMILES notation for 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The canonical SMILES for 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)oc1c(-c2ccc4c(c2)sc2ccccc24)cccc13.
What is the InChIKey of 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
The InChIKey is CQNZCTSQVNYJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24OS/c1-5-16-35-27(10-1)28-11-2-6-17-36(28)43(35)37-18-7-3-12-29(37)33-23-34-32-15-9-14-26(42(32)44-39(34)24-38(33)43)25-20-21-31-30-13-4-8-19-40(30)45-41(31)22-25/h1-24H.
What are the key properties of 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]?
4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] has a molecular weight of 588.73 g/mol, XLogP of 11.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-dibenzothiophen-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran] is sourced from PubChem (CID 153483760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).