10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]

C49H28O2S — CID 129309053

IUPAC10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc4c(c2-3)Oc2ccccc2O4)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C49H28O2S/c1-4-18-38-33(13-1)34-14-2-5-19-39(34)49(38)40-25-26-44-47(51-43-21-7-6-20-42(43)50-44)46(40)37-24-23-30(28-41(37)49)29-11-9-12-31(27-29)32-16-10-17-36-35-15-3-8-22-45(35)52-48(32)36/h1-28H
InChIKeyGWCXDEWPZIPCLD-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.63
Rot. Bonds2

About 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]

10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene] (PubChem CID 129309053) has the molecular formula C49H28O2S and a molecular weight of 680.83 g/mol. Its IUPAC name is 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene].

Molecular Properties

Compound Name10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]
PubChem CID129309053
Molecular FormulaC49H28O2S
Molecular Weight680.83 g/mol
Exact Mass680.18
IUPAC Name10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc4c(c2-3)Oc2ccccc2O4)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C49H28O2S/c1-4-18-38-33(13-1)34-14-2-5-19-39(34)49(38)40-25-26-44-47(51-43-21-7-6-20-42(43)50-44)46(40)37-24-23-30(28-41(37)49)29-11-9-12-31(27-29)32-16-10-17-36-35-15-3-8-22-45(35)52-48(32)36/h1-28H
InChIKeyGWCXDEWPZIPCLD-UHFFFAOYSA-N
XLogP13.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
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-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 166024897
2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 167700860
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
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
2-(7'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2'-yl)-5-phenyl-1,3,4-oxadiazole
CID 70332039
4-(5-methylspiro[benzo[g]fluorene-7,9'-fluorene]-9-yl)dibenzothiophene
CID 90128977
4-(2-phenylspiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]-3'-yl)dibenzothiophene
CID 88558298
2-[4-(8-dibenzothiophen-4-ylindeno[1,2-a]oxanthren-8-yl)phenyl]-N,N-diphenylaniline
CID 166005526
2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138576130

Frequently Asked Questions

What is the IUPAC name of 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]?
The IUPAC name of 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene] (CID 129309053) is 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene].
What is the SMILES notation for 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]?
The canonical SMILES for 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene] is c1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc4c(c2-3)Oc2ccccc2O4)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]?
The InChIKey is GWCXDEWPZIPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28O2S/c1-4-18-38-33(13-1)34-14-2-5-19-39(34)49(38)40-25-26-44-47(51-43-21-7-6-20-42(43)50-44)46(40)37-24-23-30(28-41(37)49)29-11-9-12-31(27-29)32-16-10-17-36-35-15-3-8-22-45(35)52-48(32)36/h1-28H.
What are the key properties of 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]?
10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene] has a molecular weight of 680.83 g/mol, XLogP of 13.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(3-dibenzothiophen-4-ylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene] is sourced from PubChem (CID 129309053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).