[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate

C26H18O6 — CID 170936704

IUPAC[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate
SMILESO=C(OC1C2c3ccccc3C(c3ccccc32)C1OC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C26H18O6/c27-25(19-11-5-13-29-19)31-23-21-15-7-1-2-8-16(15)22(18-10-4-3-9-17(18)21)24(23)32-26(28)20-12-6-14-30-20/h1-14,21-24H
InChIKeyJHHNCVYJGHAINU-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.91
Rot. Bonds4

About [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate

[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate (PubChem CID 170936704) has the molecular formula C26H18O6 and a molecular weight of 426.42 g/mol. Its IUPAC name is [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate
PubChem CID170936704
Molecular FormulaC26H18O6
Molecular Weight426.42 g/mol
Exact Mass426.11
IUPAC Name[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate
SMILESO=C(OC1C2c3ccccc3C(c3ccccc32)C1OC(=O)c1ccco1)c1ccco1
InChIInChI=1S/C26H18O6/c27-25(19-11-5-13-29-19)31-23-21-15-7-1-2-8-16(15)22(18-10-4-3-9-17(18)21)24(23)32-26(28)20-12-6-14-30-20/h1-14,21-24H
InChIKeyJHHNCVYJGHAINU-UHFFFAOYSA-N
XLogP4.91
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate with MolForge

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Related Compounds

9H-fluoren-9-yl furan-2-carboxylate
CID 7814199
[(3S,3aR,6S,6aS)-6-(furan-2-carbonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] furan-2-carboxylate
CID 11872133
[(3S,3aS,6R,6aS)-6-(furan-2-carbonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] furan-2-carboxylate
CID 7075036
cyclopentyl furan-2-carboxylate
CID 565207
[(3S,5R)-3,5-dimethylcyclohexyl] furan-2-carboxylate
CID 849243
1-azabicyclo[2.2.2]octan-3-yl furan-2-carboxylate
CID 3900634
bromomethyl furan-2-carboxylate
CID 54363056
[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone
CID 129470935
(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
[2-(cyclobutanecarbonyloxy)phenyl] furan-2-carboxylate
CID 91700525
[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] furan-2-carboxylate
CID 10825072

Frequently Asked Questions

What is the IUPAC name of [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate?
The IUPAC name of [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate (CID 170936704) is [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate.
What is the SMILES notation for [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate?
The canonical SMILES for [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate is O=C(OC1C2c3ccccc3C(c3ccccc32)C1OC(=O)c1ccco1)c1ccco1.
What is the InChIKey of [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate?
The InChIKey is JHHNCVYJGHAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O6/c27-25(19-11-5-13-29-19)31-23-21-15-7-1-2-8-16(15)22(18-10-4-3-9-17(18)21)24(23)32-26(28)20-12-6-14-30-20/h1-14,21-24H.
What are the key properties of [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate?
[16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate has a molecular weight of 426.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [16-(furan-2-carbonyloxy)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] furan-2-carboxylate is sourced from PubChem (CID 170936704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).