(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene

C23H21N3O3 — CID 177470692

IUPAC(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene
SMILESC1=N/c2cccc(n2)/N=C/c2ccccc2OCCOCCOc2ccccc2/1
InChIInChI=1S/C23H21N3O3/c1-3-8-20-18(6-1)16-24-22-10-5-11-23(26-22)25-17-19-7-2-4-9-21(19)29-15-13-27-12-14-28-20/h1-11,16-17H,12-15H2/b24-16+,25-17+
InChIKeyRADXKFNGNHRDEJ-MUPYBJATSA-N
MW387.44 g/mol
LogP4.37
Rot. Bonds

About (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene

(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene (PubChem CID 177470692) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene.

Molecular Properties

Compound Name(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene
PubChem CID177470692
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene
SMILESC1=N/c2cccc(n2)/N=C/c2ccccc2OCCOCCOc2ccccc2/1
InChIInChI=1S/C23H21N3O3/c1-3-8-20-18(6-1)16-24-22-10-5-11-23(26-22)25-17-19-7-2-4-9-21(19)29-15-13-27-12-14-28-20/h1-11,16-17H,12-15H2/b24-16+,25-17+
InChIKeyRADXKFNGNHRDEJ-MUPYBJATSA-N
XLogP4.37
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene?
The IUPAC name of (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene (CID 177470692) is (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene.
What is the SMILES notation for (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene?
The canonical SMILES for (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene is C1=N/c2cccc(n2)/N=C/c2ccccc2OCCOCCOc2ccccc2/1.
What is the InChIKey of (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene?
The InChIKey is RADXKFNGNHRDEJ-MUPYBJATSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-3-8-20-18(6-1)16-24-22-10-5-11-23(26-22)25-17-19-7-2-4-9-21(19)29-15-13-27-12-14-28-20/h1-11,16-17H,12-15H2/b24-16+,25-17+.
What are the key properties of (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene?
(23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene has a molecular weight of 387.44 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (23E)-10,13,16-trioxa-2,24,29-triazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),2,4,6,8,17,19,21,23,25,27-undecaene is sourced from PubChem (CID 177470692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).