5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione

C36H32O4 — CID 11203328

IUPAC5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione
SMILESO=C1OCc2cc3ccc2CCc2ccc(cc2C(=O)OCc2cc4ccc2CCc2ccc(cc21)CC4)CC3
InChIInChI=1S/C36H32O4/c37-35-33-19-25-3-1-23-5-9-27(13-15-29(33)11-7-25)31(17-23)21-39-36(38)34-20-26-4-2-24-6-10-28(32(18-24)22-40-35)14-16-30(34)12-8-26/h5-12,17-20H,1-4,13-16,21-22H2
InChIKeyJKOPQNDXWRBGJO-UHFFFAOYSA-N
MW528.65 g/mol
LogP6.48
Rot. Bonds

About 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione

5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione (PubChem CID 11203328) has the molecular formula C36H32O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione.

Molecular Properties

Compound Name5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione
PubChem CID11203328
Molecular FormulaC36H32O4
Molecular Weight528.65 g/mol
Exact Mass528.23
IUPAC Name5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione
SMILESO=C1OCc2cc3ccc2CCc2ccc(cc2C(=O)OCc2cc4ccc2CCc2ccc(cc21)CC4)CC3
InChIInChI=1S/C36H32O4/c37-35-33-19-25-3-1-23-5-9-27(13-15-29(33)11-7-25)31(17-23)21-39-36(38)34-20-26-4-2-24-6-10-28(32(18-24)22-40-35)14-16-30(34)12-8-26/h5-12,17-20H,1-4,13-16,21-22H2
InChIKeyJKOPQNDXWRBGJO-UHFFFAOYSA-N
XLogP6.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347
Pentaerythrityl Tetrabenzoate
CID 20167
Dimethyl 4,4'-biphenyldicarboxylate
CID 13099
Dimethyl-2,6-naphthalenedicarboxylate
CID 61225
peri-Naphthalide
CID 223824
Zinc naphthenate
CID 13879901
Tri-n-octyl trimellitate
CID 6960
Dibenzyl phthalate
CID 220773
Trimethylolethyl tribenzoate
CID 20168
1,4-Bis(benzoyloxymethyl)cyclohexane
CID 118244
Methyl 2-naphthoate
CID 137605

Frequently Asked Questions

What is the IUPAC name of 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione?
The IUPAC name of 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione (CID 11203328) is 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione.
What is the SMILES notation for 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione?
The canonical SMILES for 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione is O=C1OCc2cc3ccc2CCc2ccc(cc2C(=O)OCc2cc4ccc2CCc2ccc(cc21)CC4)CC3.
What is the InChIKey of 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione?
The InChIKey is JKOPQNDXWRBGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O4/c37-35-33-19-25-3-1-23-5-9-27(13-15-29(33)11-7-25)31(17-23)21-39-36(38)34-20-26-4-2-24-6-10-28(32(18-24)22-40-35)14-16-30(34)12-8-26/h5-12,17-20H,1-4,13-16,21-22H2.
What are the key properties of 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione?
5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione has a molecular weight of 528.65 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,22-dioxaheptacyclo[24.8.2.29,18.03,32.07,12.015,20.024,29]octatriaconta-1,3(32),7(12),8,10,15(20),16,18,24(29),25,27,33-dodecaene-4,21-dione is sourced from PubChem (CID 11203328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).