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

C24H12O2 — CID 11121132

IUPAChexacyclo[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
SMILESO=c1c2c(=O)c3cccc4cccc(c=2c2cccc5cccc1c52)c43
InChIInChI=1S/C24H12O2/c25-23-17-11-3-7-13-5-1-9-15(19(13)17)21-16-10-2-6-14-8-4-12-18(20(14)16)24(26)22(21)23/h1-12H
InChIKeyMVKZCKBENBXUGG-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.62
Rot. Bonds

About 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

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 (PubChem CID 11121132) has the molecular formula C24H12O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namehexacyclo[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
PubChem CID11121132
Molecular FormulaC24H12O2
Molecular Weight332.36 g/mol
Exact Mass332.08
IUPAC Namehexacyclo[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
SMILESO=c1c2c(=O)c3cccc4cccc(c=2c2cccc5cccc1c52)c43
InChIInChI=1S/C24H12O2/c25-23-17-11-3-7-13-5-1-9-15(19(13)17)21-16-10-2-6-14-8-4-12-18(20(14)16)24(26)22(21)23/h1-12H
InChIKeyMVKZCKBENBXUGG-UHFFFAOYSA-N
XLogP4.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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2-thiapentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-12-one
CID 2824941
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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
4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene
CID 154735160
octacyclo[13.13.0.02,7.03,27.09,14.013,17.016,21.023,28]octacosa-1(15),2,4,6,9,11,13,16,18,20,23,25,27-tridecaene-8,22-dione
CID 146168507
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c2c(=O)c3cccc4cccc(c=2c2cccc5cccc1c52)c43.
What is the InChIKey of 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?
The InChIKey is MVKZCKBENBXUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12O2/c25-23-17-11-3-7-13-5-1-9-15(19(13)17)21-16-10-2-6-14-8-4-12-18(20(14)16)24(26)22(21)23/h1-12H.
What are the key properties of 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?
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 has a molecular weight of 332.36 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11121132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).