dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate

C29H23NO6 — CID 11503949

IUPACdimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\c1c(C)cccc1C)C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C29H23NO6/c1-16-10-9-11-17(2)24(16)30-26-22(27(32)34-3)23(28(33)35-4)29(36-26)21-15-8-7-13-19(21)18-12-5-6-14-20(18)25(29)31/h5-15H,1-4H3/b30-26-
InChIKeyLPXNHUQLINZPMZ-BXVZCJGGSA-N
MW481.50 g/mol
LogP4.77
Rot. Bonds3

About dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate

dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate (PubChem CID 11503949) has the molecular formula C29H23NO6 and a molecular weight of 481.50 g/mol. Its IUPAC name is dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
PubChem CID11503949
Molecular FormulaC29H23NO6
Molecular Weight481.50 g/mol
Exact Mass481.15
IUPAC Namedimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\c1c(C)cccc1C)C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C29H23NO6/c1-16-10-9-11-17(2)24(16)30-26-22(27(32)34-3)23(28(33)35-4)29(36-26)21-15-8-7-13-19(21)18-12-5-6-14-20(18)25(29)31/h5-15H,1-4H3/b30-26-
InChIKeyLPXNHUQLINZPMZ-BXVZCJGGSA-N
XLogP4.77
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate (CID 11503949) is dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(O/C1=N\c1c(C)cccc1C)C(=O)c1ccccc1-c1ccccc12.
What is the InChIKey of dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
The InChIKey is LPXNHUQLINZPMZ-BXVZCJGGSA-N. The full InChI is InChI=1S/C29H23NO6/c1-16-10-9-11-17(2)24(16)30-26-22(27(32)34-3)23(28(33)35-4)29(36-26)21-15-8-7-13-19(21)18-12-5-6-14-20(18)25(29)31/h5-15H,1-4H3/b30-26-.
What are the key properties of dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate has a molecular weight of 481.50 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate is sourced from PubChem (CID 11503949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).