dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate

C29H20O4 — CID 634796

IUPACdimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)OC)cc21
InChIInChI=1S/C29H20O4/c1-32-27(30)17-11-13-21-19-7-3-5-9-23(19)29(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(16-26(22)29)28(31)33-2/h3-16H,1-2H3
InChIKeyZXKHDOBFCYKLGW-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.60
Rot. Bonds2

About dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate

dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate (PubChem CID 634796) has the molecular formula C29H20O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
PubChem CID634796
Molecular FormulaC29H20O4
Molecular Weight432.48 g/mol
Exact Mass432.14
IUPAC Namedimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)OC)cc21
InChIInChI=1S/C29H20O4/c1-32-27(30)17-11-13-21-19-7-3-5-9-23(19)29(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(16-26(22)29)28(31)33-2/h3-16H,1-2H3
InChIKeyZXKHDOBFCYKLGW-UHFFFAOYSA-N
XLogP5.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(9,9'-spirobi[fluorene]-2-yl)but-2-ene-1,4-dione
CID 76648229
methyl 1'-methylspiro[fluorene-9,4'-piperidine]-2-carboxylate
CID 23151716
methyl 9-hydroxy-9-(trifluoromethyl)fluorene-3-carboxylate
CID 59492606
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
CID 153369638
methyl 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carboxylate
CID 50936707
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
[2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 129129835
dimethyl 5-bromo-2-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]benzene-1,3-dicarboxylate
CID 176528100
methyl 3-iodo-4-(2-iodo-4-methoxycarbonylphenyl)benzoate
CID 11375867
methyl phenazine-2-carboxylate
CID 617185
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711

Frequently Asked Questions

What is the IUPAC name of dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate?
The IUPAC name of dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate (CID 634796) is dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate.
What is the SMILES notation for dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate?
The canonical SMILES for dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate is COC(=O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(C(=O)OC)cc21.
What is the InChIKey of dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate?
The InChIKey is ZXKHDOBFCYKLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O4/c1-32-27(30)17-11-13-21-19-7-3-5-9-23(19)29(25(21)15-17)24-10-6-4-8-20(24)22-14-12-18(16-26(22)29)28(31)33-2/h3-16H,1-2H3.
What are the key properties of dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate?
dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate has a molecular weight of 432.48 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9,9'-spirobi[fluorene]-2,2'-dicarboxylate is sourced from PubChem (CID 634796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).