10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene

C26H15BN2O — CID 153430683

IUPAC10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene
SMILESc1ccc2c(c1)-c1oc3ccccc3c1B1N2c2cccc3c4ccccc4n1c23
InChIInChI=1S/C26H15BN2O/c1-4-12-20-16(8-1)17-11-7-14-22-25(17)29(20)27-24-19-10-3-6-15-23(19)30-26(24)18-9-2-5-13-21(18)28(22)27/h1-15H
InChIKeyVBERQVWEIXOTEC-UHFFFAOYSA-N
MW382.23 g/mol
LogP5.92
Rot. Bonds

About 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene

10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene (PubChem CID 153430683) has the molecular formula C26H15BN2O and a molecular weight of 382.23 g/mol. Its IUPAC name is 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene.

Molecular Properties

Compound Name10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene
PubChem CID153430683
Molecular FormulaC26H15BN2O
Molecular Weight382.23 g/mol
Exact Mass382.13
IUPAC Name10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene
SMILESc1ccc2c(c1)-c1oc3ccccc3c1B1N2c2cccc3c4ccccc4n1c23
InChIInChI=1S/C26H15BN2O/c1-4-12-20-16(8-1)17-11-7-14-22-25(17)29(20)27-24-19-10-3-6-15-23(19)30-26(24)18-9-2-5-13-21(18)28(22)27/h1-15H
InChIKeyVBERQVWEIXOTEC-UHFFFAOYSA-N
XLogP5.92
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.23
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene with MolForge

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Related Compounds

6-carbazol-9-yl-2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaene
CID 153430620
bis(2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane
CID 153430751
1,3,6,14-tetraza-2-boraheptacyclo[13.10.1.02,14.03,7.08,13.019,26.020,25]hexacosa-4,6,8,10,12,15,17,19(26),20,22,24-undecaene
CID 140887798
25-dibenzofuran-2-yl-2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17,19,21,23(27),24-dodecaene;6-dibenzofuran-2-yl-2,10,16-triaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9(14),10,12,17,19,21,23(27),24-dodecaene;25-dibenzothiophen-2-yl-2,16-diaza-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3,5,7,9,11,13,17,19,21,23(27),24-dodecaene
CID 162236597
11,21-diphenyl-29-oxa-1,11,21-triaza-20-boradecacyclo[17.16.1.120,31.02,14.04,12.05,10.015,36.022,30.023,28.035,37]heptatriaconta-2(14),3,5,7,9,12,15,17,19(36),22(30),23,25,27,31(37),32,34-hexadecaene
CID 176721918
11,12,29-triphenyl-1,11,29-triaza-2,12-diboraoctacyclo[15.10.1.12,6.03,16.04,13.05,10.021,28.022,27]nonacosa-3(16),4(13),5(10),6,8,14,17,19,21(28),22,24,26-dodecaene
CID 157346589
18-methyl-13-phenyl-3-oxa-13,21-diaza-20-boranonacyclo[18.12.1.121,28.02,10.04,9.012,33.014,19.022,27.032,34]tetratriaconta-1,4,6,8,10,12(33),14,16,18,22,24,26,28(34),29,31-pentadecaene
CID 174068817
11,35-dioxa-2,26-diaza-1-boratridecacyclo[23.19.1.12,9.126,33.03,8.010,18.012,17.021,45.027,32.034,42.036,41.020,47.044,46]heptatetraconta-3,5,7,9,12,14,16,18,20(47),21(45),22,24,27,29,31,33(46),34(42),36,38,40,43-henicosaene
CID 156896381
1-bromo-10-chloro-[1]benzoborolo[3,2-b][1]benzofuran
CID 176875814
26,48-dioxa-6,35,39,68-tetraza-1,5-diborahenicosacyclo[37.29.2.25,28.16,13.157,61.02,38.04,36.07,12.019,27.020,25.029,34.040,45.046,70.047,55.049,54.056,69.062,67.017,74.018,73.035,72.068,71]tetraheptaconta-2(38),3,7,9,11,13(74),14,16,18(73),19(27),20,22,24,28(72),29,31,33,36,40,42,44,46(70),47(55),49,51,53,56(69),57,59,61(71),62,64,66-tritriacontaene
CID 168775881
11-phenyl-9-oxa-11,17-diaza-1-boraoctacyclo[14.12.1.117,24.02,10.03,8.012,29.018,23.028,30]triaconta-2(10),3,5,7,12,14,16(29),18,20,22,24,26,28(30)-tridecaene
CID 148705747
9-[2-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 166037266

Frequently Asked Questions

What is the IUPAC name of 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene?
The IUPAC name of 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene (CID 153430683) is 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene.
What is the SMILES notation for 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene?
The canonical SMILES for 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene is c1ccc2c(c1)-c1oc3ccccc3c1B1N2c2cccc3c4ccccc4n1c23.
What is the InChIKey of 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene?
The InChIKey is VBERQVWEIXOTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BN2O/c1-4-12-20-16(8-1)17-11-7-14-22-25(17)29(20)27-24-19-10-3-6-15-23(19)30-26(24)18-9-2-5-13-21(18)28(22)27/h1-15H.
What are the key properties of 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene?
10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene has a molecular weight of 382.23 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-1,18-diaza-2-boraoctacyclo[17.10.1.02,18.03,11.04,9.012,17.023,30.024,29]triaconta-3(11),4,6,8,12,14,16,19,21,23(30),24,26,28-tridecaene is sourced from PubChem (CID 153430683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).