2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene

C24H14N2O2 — CID 126567892

IUPAC2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
SMILESc1ccc2c(c1)[nH]c1cc3c(cc12)Oc1cc2[nH]c4ccccc4c2cc1O3
InChIInChI=1S/C24H14N2O2/c1-3-7-17-13(5-1)15-9-21-23(11-19(15)25-17)28-22-10-16-14-6-2-4-8-18(14)26-20(16)12-24(22)27-21/h1-12,25-26H
InChIKeyXSEXNVFUPAVVFZ-UHFFFAOYSA-N
MW362.39 g/mol
LogP6.85
Rot. Bonds

About 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene

2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene (PubChem CID 126567892) has the molecular formula C24H14N2O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene.

Molecular Properties

Compound Name2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
PubChem CID126567892
Molecular FormulaC24H14N2O2
Molecular Weight362.39 g/mol
Exact Mass362.11
IUPAC Name2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
SMILESc1ccc2c(c1)[nH]c1cc3c(cc12)Oc1cc2[nH]c4ccccc4c2cc1O3
InChIInChI=1S/C24H14N2O2/c1-3-7-17-13(5-1)15-9-21-23(11-19(15)25-17)28-22-10-16-14-6-2-4-8-18(14)26-20(16)12-24(22)27-21/h1-12,25-26H
InChIKeyXSEXNVFUPAVVFZ-UHFFFAOYSA-N
XLogP6.85
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene with MolForge

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Related Compounds

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CID 58471811
4,11-dioxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3(12),5,7,9,13,15,17,19,21,23-undecaene
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CID 135273941
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
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CID 67594562
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Frequently Asked Questions

What is the IUPAC name of 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
The IUPAC name of 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene (CID 126567892) is 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene.
What is the SMILES notation for 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
The canonical SMILES for 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene is c1ccc2c(c1)[nH]c1cc3c(cc12)Oc1cc2[nH]c4ccccc4c2cc1O3.
What is the InChIKey of 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
The InChIKey is XSEXNVFUPAVVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O2/c1-3-7-17-13(5-1)15-9-21-23(11-19(15)25-17)28-22-10-16-14-6-2-4-8-18(14)26-20(16)12-24(22)27-21/h1-12,25-26H.
What are the key properties of 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene has a molecular weight of 362.39 g/mol, XLogP of 6.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-dioxa-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene is sourced from PubChem (CID 126567892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).