11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

C26H18N2O — CID 122594862

IUPAC11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
SMILESCCn1c2ccccc2c2cc3c4cccc5c4n(c3cc21)-c1ccccc1O5
InChIInChI=1S/C26H18N2O/c1-2-27-20-10-4-3-8-16(20)18-14-19-17-9-7-13-25-26(17)28(23(19)15-22(18)27)21-11-5-6-12-24(21)29-25/h3-15H,2H2,1H3
InChIKeyKREFWMWJRFKHSD-UHFFFAOYSA-N
MW374.44 g/mol
LogP7.02
Rot. Bonds1

About 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (PubChem CID 122594862) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.

Molecular Properties

Compound Name11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
PubChem CID122594862
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
SMILESCCn1c2ccccc2c2cc3c4cccc5c4n(c3cc21)-c1ccccc1O5
InChIInChI=1S/C26H18N2O/c1-2-27-20-10-4-3-8-16(20)18-14-19-17-9-7-13-25-26(17)28(23(19)15-22(18)27)21-11-5-6-12-24(21)29-25/h3-15H,2H2,1H3
InChIKeyKREFWMWJRFKHSD-UHFFFAOYSA-N
XLogP7.02
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene with MolForge

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Related Compounds

5-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67967970
11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483
7-ethyl-5-phenylindolo[2,3-b]carbazole
CID 139441502
butane;bis(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);propane;bis(13-thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene)
CID 162109152
5-[3-[3-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67967954
5-[3-[3-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67967957
5-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795226
5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 138612489
4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795640
3-(3-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795494
4-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795320
17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795779

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The IUPAC name of 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (CID 122594862) is 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.
What is the SMILES notation for 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The canonical SMILES for 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is CCn1c2ccccc2c2cc3c4cccc5c4n(c3cc21)-c1ccccc1O5.
What is the InChIKey of 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The InChIKey is KREFWMWJRFKHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c1-2-27-20-10-4-3-8-16(20)18-14-19-17-9-7-13-25-26(17)28(23(19)15-22(18)27)21-11-5-6-12-24(21)29-25/h3-15H,2H2,1H3.
What are the key properties of 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene has a molecular weight of 374.44 g/mol, XLogP of 7.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-22-oxa-11,15-diazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is sourced from PubChem (CID 122594862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).