11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene

C34H19NO — CID 139436379

IUPAC11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene
SMILESc1ccc2c(c1)cc1c3c4ccccc4c4ccccc4c3c3cc4c(cc3n21)oc1ccccc14
InChIInChI=1S/C34H19NO/c1-7-15-28-20(9-1)17-30-34-25-14-5-3-11-22(25)21-10-2-4-13-24(21)33(34)27-18-26-23-12-6-8-16-31(23)36-32(26)19-29(27)35(28)30/h1-19H
InChIKeyGENFJWGSANONIR-UHFFFAOYSA-N
MW457.53 g/mol
LogP9.60
Rot. Bonds

About 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene

11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene (PubChem CID 139436379) has the molecular formula C34H19NO and a molecular weight of 457.53 g/mol. Its IUPAC name is 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene.

Molecular Properties

Compound Name11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene
PubChem CID139436379
Molecular FormulaC34H19NO
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene
SMILESc1ccc2c(c1)cc1c3c4ccccc4c4ccccc4c3c3cc4c(cc3n21)oc1ccccc14
InChIInChI=1S/C34H19NO/c1-7-15-28-20(9-1)17-30-34-25-14-5-3-11-22(25)21-10-2-4-13-24(21)33(34)27-18-26-23-12-6-8-16-31(23)36-32(26)19-29(27)35(28)30/h1-19H
InChIKeyGENFJWGSANONIR-UHFFFAOYSA-N
XLogP9.60
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-oxa-10-azanonacyclo[22.12.0.02,10.03,8.011,23.013,21.015,20.025,30.031,36]hexatriaconta-1(24),2,4,6,8,11(23),12,15,17,19,21,25,27,29,31,33,35-heptadecaene
CID 139436570
26-oxa-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,20,22,24,27-tetradecaene
CID 146376243
30-oxa-2,9-diazaoctacyclo[19.11.0.02,10.03,8.011,20.012,17.023,31.024,29]dotriaconta-1(21),3,5,7,9,11(20),12,14,16,18,22,24,26,28,31-pentadecaene
CID 139435876
20-oxa-1-azaoctacyclo[14.13.1.02,7.08,30.09,14.017,29.019,27.021,26]triaconta-2,4,6,8(30),9,11,13,15,17(29),18,21,23,25,27-tetradecaene
CID 146376253
7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene
CID 139436322
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
15-methyl-10-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 145268618
32-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.07,12.028,42.029,41.031,39.033,38.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16(43),17,19,21,24(42),25,27,29(41),30,33,35,37,39-icosaene
CID 162480265
14-dibenzofuran-3-yl-9-naphthalen-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 170927828
9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
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
27-oxa-4-thia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,15,17,19,21,25,28,30,32,34-hexadecaene
CID 140956658

Frequently Asked Questions

What is the IUPAC name of 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene?
The IUPAC name of 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene (CID 139436379) is 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene.
What is the SMILES notation for 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene?
The canonical SMILES for 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene is c1ccc2c(c1)cc1c3c4ccccc4c4ccccc4c3c3cc4c(cc3n21)oc1ccccc14.
What is the InChIKey of 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene?
The InChIKey is GENFJWGSANONIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19NO/c1-7-15-28-20(9-1)17-30-34-25-14-5-3-11-22(25)21-10-2-4-13-24(21)33(34)27-18-26-23-12-6-8-16-31(23)36-32(26)19-29(27)35(28)30/h1-19H.
What are the key properties of 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene?
11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene has a molecular weight of 457.53 g/mol, XLogP of 9.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-15-azanonacyclo[22.12.0.02,14.04,12.05,10.015,23.016,21.025,30.031,36]hexatriaconta-1(24),2(14),3,5,7,9,12,16,18,20,22,25,27,29,31,33,35-heptadecaene is sourced from PubChem (CID 139436379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).