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

C140H98B7N7 — CID 161079226

IUPAC7-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
SMILESC1=CB2c3c(c4ccccc4c4ccccc34)C=CN2C=C1.C1=CB2c3cc4cc5ccccc5cc4cc3C=CN2C=C1.C1=CB2c3cc4ccc5ccccc5c4cc3C=CN2C=C1.C1=CB2c3cc4ccccc4cc3-c3ccccc3N2C=C1.C1=CB2c3ccc4ccccc4c3-c3ccccc3N2C=C1.C1=CN2C=Cc3c(ccc4ccccc34)B2c2ccccc21.C1=Cc2ccccc2N2C=Cc3c(ccc4ccccc34)B12
InChIInChI=1S/7C20H14BN/c1-3-7-17-15(5-1)9-10-19-18(17)12-14-22-20-8-4-2-6-16(20)11-13-21(19)22;1-3-7-17-15(5-1)9-10-20-18(17)12-14-22-13-11-16-6-2-4-8-19(16)21(20)22;1-2-9-17-15(7-1)16-8-3-4-10-18(16)20-19(17)11-14-22-13-6-5-12-21(20)22;1-2-8-16-15(7-1)11-12-18-20(16)17-9-3-4-10-19(17)22-14-6-5-13-21(18)22;1-2-8-16-14-19-18(13-15(16)7-1)17-9-3-4-10-20(17)22-12-6-5-11-21(19)22;1-2-6-18-15(5-1)7-8-16-14-20-17(13-19(16)18)9-12-22-11-4-3-10-21(20)22;1-2-6-16-12-19-14-20-17(13-18(19)11-15(16)5-1)7-10-22-9-4-3-8-21(20)22/h7*1-14H
InChIKeyUFRNNFUZHPVJCY-UHFFFAOYSA-N
MW1954.06 g/mol
LogP27.91
Rot. Bonds

About 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

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 (PubChem CID 161079226) has the molecular formula C140H98B7N7 and a molecular weight of 1954.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID161079226
Molecular FormulaC140H98B7N7
Molecular Weight1954.06 g/mol
Exact Mass1953.85
IUPAC Name7-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
SMILESC1=CB2c3c(c4ccccc4c4ccccc34)C=CN2C=C1.C1=CB2c3cc4cc5ccccc5cc4cc3C=CN2C=C1.C1=CB2c3cc4ccc5ccccc5c4cc3C=CN2C=C1.C1=CB2c3cc4ccccc4cc3-c3ccccc3N2C=C1.C1=CB2c3ccc4ccccc4c3-c3ccccc3N2C=C1.C1=CN2C=Cc3c(ccc4ccccc34)B2c2ccccc21.C1=Cc2ccccc2N2C=Cc3c(ccc4ccccc34)B12
InChIInChI=1S/7C20H14BN/c1-3-7-17-15(5-1)9-10-19-18(17)12-14-22-20-8-4-2-6-16(20)11-13-21(19)22;1-3-7-17-15(5-1)9-10-20-18(17)12-14-22-13-11-16-6-2-4-8-19(16)21(20)22;1-2-9-17-15(7-1)16-8-3-4-10-18(16)20-19(17)11-14-22-13-6-5-12-21(20)22;1-2-8-16-15(7-1)11-12-18-20(16)17-9-3-4-10-19(17)22-14-6-5-13-21(18)22;1-2-8-16-14-19-18(13-15(16)7-1)17-9-3-4-10-20(17)22-12-6-5-11-21(19)22;1-2-6-18-15(5-1)7-8-16-14-20-17(13-19(16)18)9-12-22-11-4-3-10-21(20)22;1-2-6-16-12-19-14-20-17(13-18(19)11-15(16)5-1)7-10-22-9-4-3-8-21(20)22/h7*1-14H
InChIKeyUFRNNFUZHPVJCY-UHFFFAOYSA-N
XLogP27.91
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001954.06
LogP ≤ 527.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
19-anthracen-2-yl-16,22-bis(4-phenylphenyl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.07,12.017,37.023,36.025,34.026,31]heptatriaconta-2,4(13),5,7,9,11,14,17,19,21(37),23,25(34),26,28,30,32,35-heptadecaene
CID 170670236
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 159026532
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
15-aza-2-boranonacyclo[20.16.0.02,15.03,8.09,14.016,21.023,36.024,29.030,35]octatriaconta-1(22),3,5,7,9,11,13,16,18,20,23(36),24,26,28,30,32,34,37-octadecaene
CID 140834857
5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
CID 140842799
17-phenyl-2,6-diaza-17,25-diboraundecacyclo[23.16.1.12,6.03,24.04,21.05,18.07,16.09,14.026,31.032,37.038,42]tritetraconta-1(41),3(24),4(21),5(18),7,9,11,13,15,19,22,26,28,30,32,34,36,38(42),39-nonadecaen-43-one
CID 168741977
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
9-benzo[a]anthracen-9-ylbenzo[a]anthracene
CID 123664298

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CB2c3c(c4ccccc4c4ccccc34)C=CN2C=C1.C1=CB2c3cc4cc5ccccc5cc4cc3C=CN2C=C1.C1=CB2c3cc4ccc5ccccc5c4cc3C=CN2C=C1.C1=CB2c3cc4ccccc4cc3-c3ccccc3N2C=C1.C1=CB2c3ccc4ccccc4c3-c3ccccc3N2C=C1.C1=CN2C=Cc3c(ccc4ccccc34)B2c2ccccc21.C1=Cc2ccccc2N2C=Cc3c(ccc4ccccc34)B12.
What is the InChIKey of 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?
The InChIKey is UFRNNFUZHPVJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/7C20H14BN/c1-3-7-17-15(5-1)9-10-19-18(17)12-14-22-20-8-4-2-6-16(20)11-13-21(19)22;1-3-7-17-15(5-1)9-10-20-18(17)12-14-22-13-11-16-6-2-4-8-19(16)21(20)22;1-2-9-17-15(7-1)16-8-3-4-10-18(16)20-19(17)11-14-22-13-6-5-12-21(20)22;1-2-8-16-15(7-1)11-12-18-20(16)17-9-3-4-10-19(17)22-14-6-5-13-21(18)22;1-2-8-16-14-19-18(13-15(16)7-1)17-9-3-4-10-20(17)22-12-6-5-11-21(19)22;1-2-6-18-15(5-1)7-8-16-14-20-17(13-19(16)18)9-12-22-11-4-3-10-21(20)22;1-2-6-16-12-19-14-20-17(13-18(19)11-15(16)5-1)7-10-22-9-4-3-8-21(20)22/h7*1-14H.
What are the key properties of 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?
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 has a molecular weight of 1954.06 g/mol, XLogP of 27.91, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161079226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).