6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene

C23H18N2O7 — CID 171933927

IUPAC6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene
SMILESCOc1cc2c([nH]c3c(OC)c4[nH]c5c6c(c(OC)cc5c4cc32)OCO6)c2c1OCO2
InChIInChI=1S/C23H18N2O7/c1-26-13-5-11-9-4-10-12-6-14(27-2)20-23(32-8-30-20)18(12)25-16(10)21(28-3)15(9)24-17(11)22-19(13)29-7-31-22/h4-6,24-25H,7-8H2,1-3H3
InChIKeyOIHWQJDJBBZAAD-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.44
Rot. Bonds3

About 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene

6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene (PubChem CID 171933927) has the molecular formula C23H18N2O7 and a molecular weight of 434.40 g/mol. Its IUPAC name is 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene.

Molecular Properties

Compound Name6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene
PubChem CID171933927
Molecular FormulaC23H18N2O7
Molecular Weight434.40 g/mol
Exact Mass434.11
IUPAC Name6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene
SMILESCOc1cc2c([nH]c3c(OC)c4[nH]c5c6c(c(OC)cc5c4cc32)OCO6)c2c1OCO2
InChIInChI=1S/C23H18N2O7/c1-26-13-5-11-9-4-10-12-6-14(27-2)20-23(32-8-30-20)18(12)25-16(10)21(28-3)15(9)24-17(11)22-19(13)29-7-31-22/h4-6,24-25H,7-8H2,1-3H3
InChIKeyOIHWQJDJBBZAAD-UHFFFAOYSA-N
XLogP4.44
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene?
The IUPAC name of 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene (CID 171933927) is 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene.
What is the SMILES notation for 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene?
The canonical SMILES for 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene is COc1cc2c([nH]c3c(OC)c4[nH]c5c6c(c(OC)cc5c4cc32)OCO6)c2c1OCO2.
What is the InChIKey of 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene?
The InChIKey is OIHWQJDJBBZAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O7/c1-26-13-5-11-9-4-10-12-6-14(27-2)20-23(32-8-30-20)18(12)25-16(10)21(28-3)15(9)24-17(11)22-19(13)29-7-31-22/h4-6,24-25H,7-8H2,1-3H3.
What are the key properties of 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene?
6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene has a molecular weight of 434.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,24-trimethoxy-8,10,20,22-tetraoxa-13,17-diazaheptacyclo[14.10.0.03,14.04,12.07,11.018,26.019,23]hexacosa-1(16),2,4,6,11,14,18,23,25-nonaene is sourced from PubChem (CID 171933927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).