1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

C120H80B5N5 — CID 158395685

IUPAC1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
SMILESC1=CN2B(c3ccccc31)c1cc3ccccc3cc1-c1ccccc12.C1=CN2B(c3ccccc31)c1ccccc1-c1c2ccc2ccccc12.C1=CN2B(c3ccccc31)c1ccccc1-c1cc3ccccc3cc12.C1=Cc2ccccc2N2B1c1ccccc1-c1c2ccc2ccccc12.C1=Cc2ccccc2N2B1c1ccccc1-c1cc3ccccc3cc12
InChIInChI=1S/5C24H16BN/c1-3-9-19-17(7-1)13-14-23-24(19)20-10-4-5-11-21(20)25-16-15-18-8-2-6-12-22(18)26(23)25;1-3-9-19-17(7-1)13-14-23-24(19)20-10-4-6-12-22(20)25-21-11-5-2-8-18(21)15-16-26(23)25;1-2-9-19-16-24-21(15-18(19)8-1)20-10-4-5-11-22(20)25-14-13-17-7-3-6-12-23(17)26(24)25;1-2-9-19-16-23-21(15-18(19)8-1)20-10-4-6-12-24(20)26-14-13-17-7-3-5-11-22(17)25(23)26;1-2-9-19-16-24-21(15-18(19)8-1)20-10-4-6-12-23(20)25-22-11-5-3-7-17(22)13-14-26(24)25/h5*1-16H
InChIKeyGXNAWQBAFUNTQM-UHFFFAOYSA-N
MW1646.06 g/mol
LogP24.10
Rot. Bonds

About 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (PubChem CID 158395685) has the molecular formula C120H80B5N5 and a molecular weight of 1646.06 g/mol. Its IUPAC name is 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.

Molecular Properties

Compound Name1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
PubChem CID158395685
Molecular FormulaC120H80B5N5
Molecular Weight1646.06 g/mol
Exact Mass1645.69
IUPAC Name1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
SMILESC1=CN2B(c3ccccc31)c1cc3ccccc3cc1-c1ccccc12.C1=CN2B(c3ccccc31)c1ccccc1-c1c2ccc2ccccc12.C1=CN2B(c3ccccc31)c1ccccc1-c1cc3ccccc3cc12.C1=Cc2ccccc2N2B1c1ccccc1-c1c2ccc2ccccc12.C1=Cc2ccccc2N2B1c1ccccc1-c1cc3ccccc3cc12
InChIInChI=1S/5C24H16BN/c1-3-9-19-17(7-1)13-14-23-24(19)20-10-4-5-11-21(20)25-16-15-18-8-2-6-12-22(18)26(23)25;1-3-9-19-17(7-1)13-14-23-24(19)20-10-4-6-12-22(20)25-21-11-5-2-8-18(21)15-16-26(23)25;1-2-9-19-16-24-21(15-18(19)8-1)20-10-4-5-11-22(20)25-14-13-17-7-3-6-12-23(17)26(24)25;1-2-9-19-16-23-21(15-18(19)8-1)20-10-4-6-12-24(20)26-14-13-17-7-3-5-11-22(17)25(23)26;1-2-9-19-16-24-21(15-18(19)8-1)20-10-4-6-12-23(20)25-22-11-5-3-7-17(22)13-14-26(24)25/h5*1-16H
InChIKeyGXNAWQBAFUNTQM-UHFFFAOYSA-N
XLogP24.10
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001646.06
LogP ≤ 524.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene with MolForge

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Related Compounds

1-aza-22-boradecacyclo[20.20.0.02,11.04,9.012,21.013,18.023,32.025,30.033,42.035,40]dotetraconta-2,4,6,8,10,12(21),13,15,17,19,23,25,27,29,31,33,35,37,39,41-icosaene;1-aza-22-boradecacyclo[20.20.0.02,11.04,9.012,21.014,19.023,32.025,30.033,42.035,40]dotetraconta-2,4,6,8,10,12,14,16,18,20,23,25,27,29,31,33,35,37,39,41-icosaene;1-aza-22-boranonacyclo[20.16.0.02,11.04,9.012,21.013,18.023,28.029,38.031,36]octatriaconta-2,4,6,8,10,12(21),13,15,17,19,23,25,27,29,31,33,35,37-octadecaene;22-aza-1-boranonacyclo[20.16.0.02,11.05,10.012,21.013,18.023,32.025,30.033,38]octatriaconta-2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29,31,33,35,37-octadecaene
CID 158070837
1-aza-22-boradecacyclo[20.20.0.02,11.04,9.012,21.013,18.023,32.026,31.033,42.034,39]dotetraconta-2,4,6,8,10,12(21),13,15,17,19,23(32),24,26,28,30,33(42),34,36,38,40-icosaene;2,21-diaza-15,34-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3,5,7,9,11,13,16(40),17,19,22,24,26,28,30,32,35(39),36-octadecaene
CID 159333125
7-aza-2-borapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),3,5,8,10,12,15,17,19,21-decaene;7-aza-2-borapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),3,5,8,10,12,14,16,18,20-decaene;9-aza-4-borapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,5,7,10,12,15,17,19,21-decaene;9-aza-4-borapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),2,5,7,10,12,14,16,18,20-decaene;11-aza-2-borapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,9,12,15,17,19,21-decaene;14-aza-1-borapentacyclo[12.8.0.02,11.05,10.015,20]docosa-2(11),3,5,7,9,12,15,17,19,21-decaene;20-aza-15-borapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,16,18,21-decaene
CID 161079226
1-aza-14-borahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
CID 154720187
17-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]-1-aza-14-boratetracyclo[12.4.0.02,7.08,13]octadeca-2,4,6,8,10,12,15,17-octaene
CID 170518467
5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
CID 140842799
N-naphthalen-1-yl-N-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-5-amine
CID 90069910
5-[3,5-bis(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-10-yl)phenyl]-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene
CID 140834979
3-(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaen-12-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene;5-(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaen-6-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene;6-(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaen-6-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
CID 160836804
5,23-bis(2,4-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-bis(3,5-diphenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,23-dinaphthalen-1-yl-11-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,11,23-triphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene
CID 159350496
4,27-diaza-17,40-diboraundecacyclo[24.20.0.03,24.04,17.05,10.011,16.018,23.027,40.028,33.034,39.041,46]hexatetraconta-1,3(24),5,7,9,11,13,15,18,20,22,25,28,30,32,34,36,38,41,43,45-henicosaene;17,40-diaza-4,27-diboraundecacyclo[24.20.0.03,24.04,17.05,10.011,16.018,23.027,40.028,33.034,39.041,46]hexatetraconta-1(26),2,5,7,9,11,13,15,18,20,22,24,28,30,32,34,36,38,41,43,45-henicosaene;6-N,6-N,30-N,30-N-tetraphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(39),3(8),4,6,9,11,13,16(40),17,19,22,24,26,28(33),29,31,35,37-octadecaene-6,30-diamine;13,21,36,44-tetraphenyl-17,40-diaza-4,27-diboraundecacyclo[24.20.0.03,24.04,17.05,10.011,16.018,23.027,40.028,33.034,39.041,46]hexatetraconta-1(26),2,5,7,9,11(16),12,14,18(23),19,21,24,28,30,32,34(39),35,37,41(46),42,44-henicosaene
CID 160874334
18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene
CID 58185016

Frequently Asked Questions

What is the IUPAC name of 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
The IUPAC name of 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (CID 158395685) is 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.
What is the SMILES notation for 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
The canonical SMILES for 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is C1=CN2B(c3ccccc31)c1cc3ccccc3cc1-c1ccccc12.C1=CN2B(c3ccccc31)c1ccccc1-c1c2ccc2ccccc12.C1=CN2B(c3ccccc31)c1ccccc1-c1cc3ccccc3cc12.C1=Cc2ccccc2N2B1c1ccccc1-c1c2ccc2ccccc12.C1=Cc2ccccc2N2B1c1ccccc1-c1cc3ccccc3cc12.
What is the InChIKey of 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
The InChIKey is GXNAWQBAFUNTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/5C24H16BN/c1-3-9-19-17(7-1)13-14-23-24(19)20-10-4-5-11-21(20)25-16-15-18-8-2-6-12-22(18)26(23)25;1-3-9-19-17(7-1)13-14-23-24(19)20-10-4-6-12-22(20)25-21-11-5-2-8-18(21)15-16-26(23)25;1-2-9-19-16-24-21(15-18(19)8-1)20-10-4-5-11-22(20)25-14-13-17-7-3-6-12-23(17)26(24)25;1-2-9-19-16-23-21(15-18(19)8-1)20-10-4-6-12-24(20)26-14-13-17-7-3-5-11-22(17)25(23)26;1-2-9-19-16-24-21(15-18(19)8-1)20-10-4-6-12-23(20)25-22-11-5-3-7-17(22)13-14-26(24)25/h5*1-16H.
What are the key properties of 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene has a molecular weight of 1646.06 g/mol, XLogP of 24.10, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aza-18-borahexacyclo[16.8.0.02,11.04,9.012,17.019,24]hexacosa-2,4,6,8,10,12,14,16,19,21,23,25-dodecaene;1-aza-18-borahexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-2(11),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;2-aza-11-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;11-aza-2-borahexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is sourced from PubChem (CID 158395685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).