dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate

C27H25NO6 — CID 15437617

IUPACdimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C27H25NO6/c1-32-25(30)21-22(26(31)33-2)27(34-24(21)28-16-10-4-3-5-11-16)20-15-9-8-13-18(20)17-12-6-7-14-19(17)23(27)29/h6-9,12-16H,3-5,10-11H2,1-2H3/b28-24-
InChIKeyFVUJRQPOCJBMEI-COOPMVRXSA-N
MW459.50 g/mol
LogP4.15
Rot. Bonds3

About dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate

dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate (PubChem CID 15437617) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
PubChem CID15437617
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Namedimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)c1ccccc1-c1ccccc12
InChIInChI=1S/C27H25NO6/c1-32-25(30)21-22(26(31)33-2)27(34-24(21)28-16-10-4-3-5-11-16)20-15-9-8-13-18(20)17-12-6-7-14-19(17)23(27)29/h6-9,12-16H,3-5,10-11H2,1-2H3/b28-24-
InChIKeyFVUJRQPOCJBMEI-COOPMVRXSA-N
XLogP4.15
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 5'-cyclohexylimino-2-oxospiro[acenaphthylene-1,2'-furan]-3',4'-dicarboxylate
CID 11407850
Dimethyl 2,2-dimethoxy-10'-oxospiro[furan-5,9'-phenanthrene]-3,4-dicarboxylate
CID 11669026
Dimethyl 5-cyclohexylimino-4'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
CID 15437614
Dimethyl 5'-cyclohexylimino-10-oxospiro[anthracene-9,2'-furan]-3',4'-dicarboxylate
CID 15437615
Dimethyl 5-cyclohexylimino-2'-oxospiro[furan-2,1'-naphthalene]-3,4-dicarboxylate
CID 15437618
Dimethyl 2-benzoyl-5-(cyclohexylimino)-2-phenyl-2,5-dihydrofuran-3,4-dicarboxylate
CID 101272693
1-[(4aS,5S,6R,7S)-7-methyl-6-[(1S)-2-oxo-1,2-diphenylethoxy]-2,3,4,4a,5,6,7,8-octahydroquinolin-5-yl]-4-methoxybutan-2-one
CID 135020286
4',5a'-Diphenyl-10-oxospiro[phenanthrene[9,2']oxeto[5,4-b]oxazole]
CID 139065746
Dimethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
CID 11503949
Diethyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
CID 11598668
Ditert-butyl 5-(2,6-dimethylphenyl)imino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate
CID 11635481
Dimethyl 6,7-bis(cyclohexylimino)-1,2-bis(3,4-dimethylphenyl)-3-oxo-5-oxaspiro[3.5]nona-1,8-diene-8,9-dicarboxylate
CID 12179981

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate (CID 15437617) is dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(O/C1=N\C1CCCCC1)C(=O)c1ccccc1-c1ccccc12.
What is the InChIKey of dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
The InChIKey is FVUJRQPOCJBMEI-COOPMVRXSA-N. The full InChI is InChI=1S/C27H25NO6/c1-32-25(30)21-22(26(31)33-2)27(34-24(21)28-16-10-4-3-5-11-16)20-15-9-8-13-18(20)17-12-6-7-14-19(17)23(27)29/h6-9,12-16H,3-5,10-11H2,1-2H3/b28-24-.
What are the key properties of dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate?
dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate has a molecular weight of 459.50 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-cyclohexylimino-10'-oxospiro[furan-2,9'-phenanthrene]-3,4-dicarboxylate is sourced from PubChem (CID 15437617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).