10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol

C25H16O4S — CID 171721504

IUPAC10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol
SMILESO=S1(=O)c2ccccc2C2(c3cc(O)ccc3-c3ccc(O)cc32)c2ccccc21
InChIInChI=1S/C25H16O4S/c26-15-9-11-17-18-12-10-16(27)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)30(28,29)24-8-4-2-6-20(24)25/h1-14,26-27H
InChIKeyBKBZVNDZALWLQG-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.61
Rot. Bonds

About 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol

10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol (PubChem CID 171721504) has the molecular formula C25H16O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol.

Molecular Properties

Compound Name10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol
PubChem CID171721504
Molecular FormulaC25H16O4S
Molecular Weight412.47 g/mol
Exact Mass412.08
IUPAC Name10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol
SMILESO=S1(=O)c2ccccc2C2(c3cc(O)ccc3-c3ccc(O)cc32)c2ccccc21
InChIInChI=1S/C25H16O4S/c26-15-9-11-17-18-12-10-16(27)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)30(28,29)24-8-4-2-6-20(24)25/h1-14,26-27H
InChIKeyBKBZVNDZALWLQG-UHFFFAOYSA-N
XLogP4.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(2,5-dihydroxyphenyl)fluoren-9-yl]benzene-1,4-diol
CID 137364137
4-(10',10'-dioxospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-thioxanthene]-11-yl)benzonitrile
CID 134572176
11-(4,6-diphenylpyrimidin-2-yl)spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-thioxanthene] 10',10'-dioxide
CID 134571577
5,5-dioxodibenzothiophene-2,8-diol
CID 14419775
3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754949
3-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754964
9,9-diethylfluoren-2-ol
CID 163996675
11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide
CID 134571604
11'-(2,6-diphenylpyrimidin-4-yl)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] 5,5-dioxide
CID 134573587
11'-(2,6-diphenylpyrimidin-4-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 5,5-dioxide
CID 134573653
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
CID 634796
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476

Frequently Asked Questions

What is the IUPAC name of 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol?
The IUPAC name of 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol (CID 171721504) is 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol.
What is the SMILES notation for 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol?
The canonical SMILES for 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol is O=S1(=O)c2ccccc2C2(c3cc(O)ccc3-c3ccc(O)cc32)c2ccccc21.
What is the InChIKey of 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol?
The InChIKey is BKBZVNDZALWLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O4S/c26-15-9-11-17-18-12-10-16(27)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)30(28,29)24-8-4-2-6-20(24)25/h1-14,26-27H.
What are the key properties of 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol?
10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol has a molecular weight of 412.47 g/mol, XLogP of 4.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10',10'-dioxospiro[fluorene-9,9'-thioxanthene]-2,7-diol is sourced from PubChem (CID 171721504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).