hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione

C22H12O2 — CID 149053597

IUPAChexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione
SMILESO=C1c2ccc3c4c2-c2c(ccc5cccc1c25)C(=O)C4CC=C3
InChIInChI=1S/C22H12O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-5,7-10,14H,6H2
InChIKeyQKHFXFJECCJZBD-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.75
Rot. Bonds

About hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione

hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione (PubChem CID 149053597) has the molecular formula C22H12O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione.

Molecular Properties

Compound Namehexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione
PubChem CID149053597
Molecular FormulaC22H12O2
Molecular Weight308.34 g/mol
Exact Mass308.08
IUPAC Namehexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione
SMILESO=C1c2ccc3c4c2-c2c(ccc5cccc1c25)C(=O)C4CC=C3
InChIInChI=1S/C22H12O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-5,7-10,14H,6H2
InChIKeyQKHFXFJECCJZBD-UHFFFAOYSA-N
XLogP4.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione with MolForge

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Related Compounds

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CID 143667795
1-phenylbenzo[b]phenalen-7-one
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tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13),9,11-pentaene-4,15-dione
CID 44556617
heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054
1-(7-oxobenzo[a]phenalen-1-yl)selanylbenzo[b]phenalen-7-one
CID 154105159
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene
CID 153307348
1-aminooxybenzo[b]phenalen-7-one
CID 163979497
2-aminophenalen-1-one
CID 13013288
benzo[a]phenalen-7-one;ethane
CID 90765972
5-methylidenepyren-4-one
CID 154595995
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512

Frequently Asked Questions

What is the IUPAC name of hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione?
The IUPAC name of hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione (CID 149053597) is hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione.
What is the SMILES notation for hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione?
The canonical SMILES for hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione is O=C1c2ccc3c4c2-c2c(ccc5cccc1c25)C(=O)C4CC=C3.
What is the InChIKey of hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione?
The InChIKey is QKHFXFJECCJZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-5,7-10,14H,6H2.
What are the key properties of hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione?
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione has a molecular weight of 308.34 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,15,17(21),18-nonaene-12,22-dione is sourced from PubChem (CID 149053597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).