13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene

C35H30N2O5 — CID 10053486

IUPAC13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene
SMILESCOc1ccc2cc1Oc1ccc(cc1)Cc1nccc3cc(OC)c4c(c13)Oc1cc3c(cc1O4)CCN(C)C3C2
InChIInChI=1S/C35H30N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-10,12,16-19,27H,11,13-15H2,1-3H3
InChIKeyKGKLFRAJRDJKCD-UHFFFAOYSA-N
MW558.63 g/mol
LogP7.62
Rot. Bonds2

About 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene

13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene (PubChem CID 10053486) has the molecular formula C35H30N2O5 and a molecular weight of 558.63 g/mol. Its IUPAC name is 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene.

Molecular Properties

Compound Name13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene
PubChem CID10053486
Molecular FormulaC35H30N2O5
Molecular Weight558.63 g/mol
Exact Mass558.22
IUPAC Name13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene
SMILESCOc1ccc2cc1Oc1ccc(cc1)Cc1nccc3cc(OC)c4c(c13)Oc1cc3c(cc1O4)CCN(C)C3C2
InChIInChI=1S/C35H30N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-10,12,16-19,27H,11,13-15H2,1-3H3
InChIKeyKGKLFRAJRDJKCD-UHFFFAOYSA-N
XLogP7.62
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.63
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene?
The IUPAC name of 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene (CID 10053486) is 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene.
What is the SMILES notation for 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene?
The canonical SMILES for 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene is COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3cc(OC)c4c(c13)Oc1cc3c(cc1O4)CCN(C)C3C2.
What is the InChIKey of 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene?
The InChIKey is KGKLFRAJRDJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-10,12,16-19,27H,11,13-15H2,1-3H3.
What are the key properties of 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene?
13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene has a molecular weight of 558.63 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,21,23,25,27,32,35-tetradecaene is sourced from PubChem (CID 10053486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).