4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene

C24H13NO2 — CID 145347853

IUPAC4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)[nH]c1ccc2c4ccccc4oc2c13
InChIInChI=1S/C24H13NO2/c1-4-8-21-13(5-1)15-9-10-18-23(24(15)27-21)17-12-22-16(11-19(17)25-18)14-6-2-3-7-20(14)26-22/h1-12,25H
InChIKeyMKGROJBNNIKVDW-UHFFFAOYSA-N
MW347.37 g/mol
LogP7.12
Rot. Bonds

About 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene

4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene (PubChem CID 145347853) has the molecular formula C24H13NO2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene.

Molecular Properties

Compound Name4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
PubChem CID145347853
Molecular FormulaC24H13NO2
Molecular Weight347.37 g/mol
Exact Mass347.09
IUPAC Name4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)[nH]c1ccc2c4ccccc4oc2c13
InChIInChI=1S/C24H13NO2/c1-4-8-21-13(5-1)15-9-10-18-23(24(15)27-21)17-12-22-16(11-19(17)25-18)14-6-2-3-7-20(14)26-22/h1-12,25H
InChIKeyMKGROJBNNIKVDW-UHFFFAOYSA-N
XLogP7.12
TPSA42.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene with MolForge

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Related Compounds

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CID 142487676
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163834799
2,5-dihydro-1H-[1]benzofuro[3,2-c]carbazole
CID 71234962
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
5-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 142487760
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CID 90433540
3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
4-methyl-4,5-dihydro-3H-[1]benzofuro[3,2-c]carbazole
CID 144660792

Frequently Asked Questions

What is the IUPAC name of 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene?
The IUPAC name of 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene (CID 145347853) is 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene.
What is the SMILES notation for 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene?
The canonical SMILES for 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene is c1ccc2c(c1)oc1cc3c(cc12)[nH]c1ccc2c4ccccc4oc2c13.
What is the InChIKey of 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene?
The InChIKey is MKGROJBNNIKVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13NO2/c1-4-8-21-13(5-1)15-9-10-18-23(24(15)27-21)17-12-22-16(11-19(17)25-18)14-6-2-3-7-20(14)26-22/h1-12,25H.
What are the key properties of 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene?
4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene has a molecular weight of 347.37 g/mol, XLogP of 7.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,25-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,26-dodecaene is sourced from PubChem (CID 145347853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).