17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione

C39H24O5 — CID 101479276

IUPAC17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione
SMILESCc1c2c(c3c(c1C)c(=O)oc1ccc4ccccc4c13)-c1c(c(C)c(C)c3c(=O)oc4ccc5ccccc5c4c13)C2=O
InChIInChI=1S/C39H24O5/c1-17-19(3)29-35(31-23-11-7-5-9-21(23)13-15-25(31)43-38(29)41)33-27(17)37(40)28-18(2)20(4)30-36(34(28)33)32-24-12-8-6-10-22(24)14-16-26(32)44-39(30)42/h5-16H,1-4H3
InChIKeyMJNGXNFPWRFSES-UHFFFAOYSA-N
MW572.62 g/mol
LogP8.96
Rot. Bonds

About 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione

17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione (PubChem CID 101479276) has the molecular formula C39H24O5 and a molecular weight of 572.62 g/mol. Its IUPAC name is 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione.

Molecular Properties

Compound Name17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione
PubChem CID101479276
Molecular FormulaC39H24O5
Molecular Weight572.62 g/mol
Exact Mass572.16
IUPAC Name17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione
SMILESCc1c2c(c3c(c1C)c(=O)oc1ccc4ccccc4c13)-c1c(c(C)c(C)c3c(=O)oc4ccc5ccccc5c4c13)C2=O
InChIInChI=1S/C39H24O5/c1-17-19(3)29-35(31-23-11-7-5-9-21(23)13-15-25(31)43-38(29)41)33-27(17)37(40)28-18(2)20(4)30-36(34(28)33)32-24-12-8-6-10-22(24)14-16-26(32)44-39(30)42/h5-16H,1-4H3
InChIKeyMJNGXNFPWRFSES-UHFFFAOYSA-N
XLogP8.96
TPSA77.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione with MolForge

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Related Compounds

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CID 118531175
naphtho[1,2-c]chromen-5-one
CID 102526290
3-oxo-1-phenylbenzo[f]chromene-2-carbonitrile
CID 102100955
4,9-dioxapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),13,15,17,19-heptaene-3,5,8,10-tetrone
CID 90856878
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
CID 67403426
4,19,23,38-tetramethylnonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),3(20),4,6,8,10,12,14,16,18,23,25,27,29,31,33,35,37-octadecaene-2,21-dione
CID 88563209
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
15-(2-methoxyethoxymethoxy)-12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-13-one
CID 153465153
13-methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11457340
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
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CID 86100625

Frequently Asked Questions

What is the IUPAC name of 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione?
The IUPAC name of 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione (CID 101479276) is 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione.
What is the SMILES notation for 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione?
The canonical SMILES for 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione is Cc1c2c(c3c(c1C)c(=O)oc1ccc4ccccc4c13)-c1c(c(C)c(C)c3c(=O)oc4ccc5ccccc5c4c13)C2=O.
What is the InChIKey of 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione?
The InChIKey is MJNGXNFPWRFSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24O5/c1-17-19(3)29-35(31-23-11-7-5-9-21(23)13-15-25(31)43-38(29)41)33-27(17)37(40)28-18(2)20(4)30-36(34(28)33)32-24-12-8-6-10-22(24)14-16-26(32)44-39(30)42/h5-16H,1-4H3.
What are the key properties of 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione?
17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione has a molecular weight of 572.62 g/mol, XLogP of 8.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17,18,22,23-tetramethyl-14,26-dioxanonacyclo[19.16.0.02,19.03,16.04,13.05,10.024,37.027,36.030,35]heptatriaconta-1(21),2(19),3(16),4(13),5,7,9,11,17,22,24(37),27(36),28,30,32,34-hexadecaene-15,20,25-trione is sourced from PubChem (CID 101479276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).