8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene

C21H12N2O — CID 140770325

IUPAC8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene
SMILESc1ccc2c(c1)Oc1cccc3c4c5ccccc5cnc4n-2c13
InChIInChI=1S/C21H12N2O/c1-2-7-14-13(6-1)12-22-21-19(14)15-8-5-11-18-20(15)23(21)16-9-3-4-10-17(16)24-18/h1-12H
InChIKeyOLFBGBLNLIDDBZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP5.44
Rot. Bonds

About 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene

8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene (PubChem CID 140770325) has the molecular formula C21H12N2O and a molecular weight of 308.34 g/mol. Its IUPAC name is 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene
PubChem CID140770325
Molecular FormulaC21H12N2O
Molecular Weight308.34 g/mol
Exact Mass308.09
IUPAC Name8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene
SMILESc1ccc2c(c1)Oc1cccc3c4c5ccccc5cnc4n-2c13
InChIInChI=1S/C21H12N2O/c1-2-7-14-13(6-1)12-22-21-19(14)15-8-5-11-18-20(15)23(21)16-9-3-4-10-17(16)24-18/h1-12H
InChIKeyOLFBGBLNLIDDBZ-UHFFFAOYSA-N
XLogP5.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.34
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

7-phenylindolo[2,3-c]isoquinoline
CID 140770399
6-(4-benzo[c]carbazol-7-ylphenyl)-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
CID 164795181
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
19-pyridin-2-yl-8,21-dioxa-1-azahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15(20),16,18-decaene
CID 176749054
6-(4-carbazol-9-ylnaphthalen-1-yl)-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
CID 164795483
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
4-(4-benzo[c]carbazol-7-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 164795179
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
5-(2,6-diphenylpyrimidin-4-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 138612471
15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469089
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

Frequently Asked Questions

What is the IUPAC name of 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene?
The IUPAC name of 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene (CID 140770325) is 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene.
What is the SMILES notation for 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene?
The canonical SMILES for 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene is c1ccc2c(c1)Oc1cccc3c4c5ccccc5cnc4n-2c13.
What is the InChIKey of 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene?
The InChIKey is OLFBGBLNLIDDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O/c1-2-7-14-13(6-1)12-22-21-19(14)15-8-5-11-18-20(15)23(21)16-9-3-4-10-17(16)24-18/h1-12H.
What are the key properties of 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene?
8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene has a molecular weight of 308.34 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1,22-diazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene is sourced from PubChem (CID 140770325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).