hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione

C24H16O2 — CID 139244724

IUPAChexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione
SMILESO=C1C=CC(=O)C2C3c4ccccc4C(c4cc5ccccc5cc43)C12
InChIInChI=1S/C24H16O2/c25-19-9-10-20(26)24-22-16-8-4-3-7-15(16)21(23(19)24)17-11-13-5-1-2-6-14(13)12-18(17)22/h1-12,21-24H
InChIKeyDBCBBUPCHPBZAH-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.37
Rot. Bonds

About hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione

hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione (PubChem CID 139244724) has the molecular formula C24H16O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione.

Molecular Properties

Compound Namehexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione
PubChem CID139244724
Molecular FormulaC24H16O2
Molecular Weight336.39 g/mol
Exact Mass336.12
IUPAC Namehexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione
SMILESO=C1C=CC(=O)C2C3c4ccccc4C(c4cc5ccccc5cc43)C12
InChIInChI=1S/C24H16O2/c25-19-9-10-20(26)24-22-16-8-4-3-7-15(16)21(23(19)24)17-11-13-5-1-2-6-14(13)12-18(17)22/h1-12,21-24H
InChIKeyDBCBBUPCHPBZAH-UHFFFAOYSA-N
XLogP4.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione with MolForge

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Related Compounds

heptacyclo[10.10.6.02,11.04,9.013,22.015,20.023,28]octacosa-2,4,6,8,10,13,15,17,19,21,25-undecaene-24,27-dione
CID 58291612
(23R,27S)-25-oxaheptacyclo[10.10.5.02,11.04,9.013,22.015,20.023,27]heptacosa-2,4,6,8,10,13,15,17,19,21-decaene-24,26-dione
CID 50941432
octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-4,6,8,13,15,17,19,21,23,25,27,29,31-tridecaene-3,10-dione
CID 75586920
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
CID 99943945
(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol
CID 57387958
bis((23S,27R)-25-azaheptacyclo[10.10.5.02,11.04,9.013,22.015,20.023,27]heptacosa-2,4,6,8,10,13,15,17,19,21-decaene-24,26-dione);tris(pyridine)
CID 139145378
31-oxanonacyclo[14.6.6.55,12.02,15.04,13.06,11.017,22.023,28.029,33]tritriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27-dodecaene-30,32-dione
CID 4584539
(5S,12S,29R,33S)-31-oxanonacyclo[14.6.6.55,12.02,15.04,13.06,11.017,22.023,28.029,33]tritriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27-dodecaene-30,32-dione
CID 98159614
(15R,19R)-17-hydroxy-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 830957
tridecacyclo[18.10.10.105,16.02,19.04,17.06,15.08,13.021,30.023,28.031,40.033,38.041,50.043,48]pentaconta-2(19),3,6,8,10,12,14,17,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49-tricosaene
CID 23399582
anthracene;cyclohexa-2,5-diene-1,4-dione
CID 118268436
24,25,26,27-tetrachlorooctacyclo[10.10.6.124,27.02,11.04,9.013,22.015,20.023,28]nonacosa-2,4,6,8,10,13,15,17,19,21,25-undecaen-29-one
CID 58676573

Frequently Asked Questions

What is the IUPAC name of hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione?
The IUPAC name of hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione (CID 139244724) is hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione.
What is the SMILES notation for hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione?
The canonical SMILES for hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione is O=C1C=CC(=O)C2C3c4ccccc4C(c4cc5ccccc5cc43)C12.
What is the InChIKey of hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione?
The InChIKey is DBCBBUPCHPBZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2/c25-19-9-10-20(26)24-22-16-8-4-3-7-15(16)21(23(19)24)17-11-13-5-1-2-6-14(13)12-18(17)22/h1-12,21-24H.
What are the key properties of hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione?
hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione has a molecular weight of 336.39 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,15,19,21,23-nonaene-14,17-dione is sourced from PubChem (CID 139244724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).