11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene

C26H15NO — CID 134343889

IUPAC11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene
SMILESc1ccc2c(c1)[nH]c1c2ccc2c3cc4c(cc3ccc21)oc1ccccc14
InChIInChI=1S/C26H15NO/c1-3-7-23-17(5-1)20-12-11-16-19(26(20)27-23)10-9-15-13-25-22(14-21(15)16)18-6-2-4-8-24(18)28-25/h1-14,27H
InChIKeyAKEOSOMOJLSGNF-UHFFFAOYSA-N
MW357.41 g/mol
LogP7.53
Rot. Bonds

About 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene

11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene (PubChem CID 134343889) has the molecular formula C26H15NO and a molecular weight of 357.41 g/mol. Its IUPAC name is 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene.

Molecular Properties

Compound Name11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene
PubChem CID134343889
Molecular FormulaC26H15NO
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene
SMILESc1ccc2c(c1)[nH]c1c2ccc2c3cc4c(cc3ccc21)oc1ccccc14
InChIInChI=1S/C26H15NO/c1-3-7-23-17(5-1)20-12-11-16-19(26(20)27-23)10-9-15-13-25-22(14-21(15)16)18-6-2-4-8-24(18)28-25/h1-14,27H
InChIKeyAKEOSOMOJLSGNF-UHFFFAOYSA-N
XLogP7.53
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene with MolForge

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Related Compounds

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CID 126718289
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
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
12H-[1]benzofuro[2,3-a]carbazole;ethane
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12H-[1]benzofuro[3,2-a]carbazole;ethane
CID 167453025
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-17-yl)-4,6-diphenyl-1,3,5-triazine
CID 169053287
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
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
CID 102495063
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CID 118151066
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480
3H-[1]benzofuro[2,3-f]indole
CID 13308901

Frequently Asked Questions

What is the IUPAC name of 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene?
The IUPAC name of 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene (CID 134343889) is 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene.
What is the SMILES notation for 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene?
The canonical SMILES for 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene is c1ccc2c(c1)[nH]c1c2ccc2c3cc4c(cc3ccc21)oc1ccccc14.
What is the InChIKey of 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene?
The InChIKey is AKEOSOMOJLSGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO/c1-3-7-23-17(5-1)20-12-11-16-19(26(20)27-23)10-9-15-13-25-22(14-21(15)16)18-6-2-4-8-24(18)28-25/h1-14,27H.
What are the key properties of 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene?
11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene has a molecular weight of 357.41 g/mol, XLogP of 7.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-19-azaheptacyclo[15.11.0.02,14.04,12.05,10.018,26.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18(26),20,22,24,27-tridecaene is sourced from PubChem (CID 134343889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).