15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene

C26H15NO — CID 139551267

IUPAC15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene
SMILESc1ccc2c(c1)ccc1ccc3oc4c(ccc5[nH]c6ccccc6c54)c3c12
InChIInChI=1S/C26H15NO/c1-2-6-17-15(5-1)9-10-16-11-14-22-25(23(16)17)19-12-13-21-24(26(19)28-22)18-7-3-4-8-20(18)27-21/h1-14,27H
InChIKeySWGUFFKUVQTGIR-UHFFFAOYSA-N
MW357.41 g/mol
LogP7.53
Rot. Bonds

About 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene

15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene (PubChem CID 139551267) has the molecular formula C26H15NO and a molecular weight of 357.41 g/mol. Its IUPAC name is 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene
PubChem CID139551267
Molecular FormulaC26H15NO
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene
SMILESc1ccc2c(c1)ccc1ccc3oc4c(ccc5[nH]c6ccccc6c54)c3c12
InChIInChI=1S/C26H15NO/c1-2-6-17-15(5-1)9-10-16-11-14-22-25(23(16)17)19-12-13-21-24(26(19)28-22)18-7-3-4-8-20(18)27-21/h1-14,27H
InChIKeySWGUFFKUVQTGIR-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 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene with MolForge

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Related Compounds

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CID 118131021
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
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CID 164721462
25,25-dimethyl-22-oxa-28-azadecacyclo[24.15.0.02,7.08,24.011,23.012,21.013,18.027,39.029,38.032,37]hentetraconta-1(26),2,4,6,8(24),9,11(23),12(21),13,15,17,19,27(39),29(38),30,32,34,36,40-nonadecaene
CID 163549147
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
3-[(1Z)-buta-1,3-dienyl]-2-methyl-6H-furo[3,2-c]carbazole
CID 155417425
11H-benzo[a]carbazole;5H-benzo[b]carbazole;7H-benzo[c]carbazole
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7-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,9,12,15,17,19,21-decaen-6-one
CID 101416325
9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 123987784
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
9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163468306
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617

Frequently Asked Questions

What is the IUPAC name of 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene?
The IUPAC name of 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene (CID 139551267) is 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene?
The canonical SMILES for 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene is c1ccc2c(c1)ccc1ccc3oc4c(ccc5[nH]c6ccccc6c54)c3c12.
What is the InChIKey of 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene?
The InChIKey is SWGUFFKUVQTGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO/c1-2-6-17-15(5-1)9-10-16-11-14-22-25(23(16)17)19-12-13-21-24(26(19)28-22)18-7-3-4-8-20(18)27-21/h1-14,27H.
What are the key properties of 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene?
15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-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 15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7,9,11,17,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 139551267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).