furan-2,5-dione;perylene

C24H14O3 — CID 159629653

IUPACfuran-2,5-dione;perylene
SMILESO=C1C=CC(=O)O1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C4H2O3/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;5-3-1-2-4(6)7-3/h1-12H;1-2H
InChIKeyMOYMBSIQKXAIKC-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.36
Rot. Bonds

About furan-2,5-dione;perylene

furan-2,5-dione;perylene (PubChem CID 159629653) has the molecular formula C24H14O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is furan-2,5-dione;perylene.

Molecular Properties

Compound Namefuran-2,5-dione;perylene
PubChem CID159629653
Molecular FormulaC24H14O3
Molecular Weight350.37 g/mol
Exact Mass350.09
IUPAC Namefuran-2,5-dione;perylene
SMILESO=C1C=CC(=O)O1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C4H2O3/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;5-3-1-2-4(6)7-3/h1-12H;1-2H
InChIKeyMOYMBSIQKXAIKC-UHFFFAOYSA-N
XLogP5.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
1-ethenylnaphthalene;furan-2,5-dione
CID 174917000
perylene diisocyanate
CID 21242736
16-phosphahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione
CID 163662385
acetic acid;perylene
CID 175230474
carbamic acid;perylene
CID 22363514
benzene-1,2-diol;perylene
CID 175494116
butane;perylene
CID 159762170
tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
CID 123956616
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
CID 139077179
ethane-1,2-diol;perylene
CID 87614452
hexacyclo[13.7.1.13,7.02,13.019,23.011,24]tetracosa-1(22),2(13),3,5,7(24),8,10,15,17,19(23),20-undecaene-12,14-dione
CID 11121132

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;perylene?
The IUPAC name of furan-2,5-dione;perylene (CID 159629653) is furan-2,5-dione;perylene.
What is the SMILES notation for furan-2,5-dione;perylene?
The canonical SMILES for furan-2,5-dione;perylene is O=C1C=CC(=O)O1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of furan-2,5-dione;perylene?
The InChIKey is MOYMBSIQKXAIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C4H2O3/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;5-3-1-2-4(6)7-3/h1-12H;1-2H.
What are the key properties of furan-2,5-dione;perylene?
furan-2,5-dione;perylene has a molecular weight of 350.37 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;perylene is sourced from PubChem (CID 159629653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).