19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene

C40H20N8 — CID 163231094

IUPAC19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene
SMILESc1ccc(-c2nc3c(nc2-c2ccccn2)c2c4cccc5c6cccnc6n(c54)c2c2c3c3cccc4c5cccnc5n2c43)nc1
InChIInChI=1S/C40H20N8/c1-3-17-41-27(15-1)31-32(28-16-2-4-18-42-28)46-34-30-26-12-6-10-22-24-14-8-20-44-40(24)48(36(22)26)38(30)37-29(33(34)45-31)25-11-5-9-21-23-13-7-19-43-39(23)47(37)35(21)25/h1-20H
InChIKeySNEXHLALDJMYDK-UHFFFAOYSA-N
MW612.66 g/mol
LogP8.84
Rot. Bonds2

About 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene

19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene (PubChem CID 163231094) has the molecular formula C40H20N8 and a molecular weight of 612.66 g/mol. Its IUPAC name is 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene.

Molecular Properties

Compound Name19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene
PubChem CID163231094
Molecular FormulaC40H20N8
Molecular Weight612.66 g/mol
Exact Mass612.18
IUPAC Name19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene
SMILESc1ccc(-c2nc3c(nc2-c2ccccn2)c2c4cccc5c6cccnc6n(c54)c2c2c3c3cccc4c5cccnc5n2c43)nc1
InChIInChI=1S/C40H20N8/c1-3-17-41-27(15-1)31-32(28-16-2-4-18-42-28)46-34-30-26-12-6-10-22-24-14-8-20-44-40(24)48(36(22)26)38(30)37-29(33(34)45-31)25-11-5-9-21-23-13-7-19-43-39(23)47(37)35(21)25/h1-20H
InChIKeySNEXHLALDJMYDK-UHFFFAOYSA-N
XLogP8.84
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.66
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene with MolForge

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Related Compounds

1,4,18,21,30,33-hexazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2(35),3(16),5,7,9,11(48),12,14,17,19,21,23,25,27,29,31,33,36,38,40(47),41,43,45-tricosaene
CID 170534675
8-N,8-N,13-N,13-N,38-N,38-N,43-N,43-N-octakis-phenyl-1,4,6,18,21,30,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2(35),3(16),5(10),6,8,11(48),12,14,17,19,21,23,25,27,29,31,33,36,38,40(47),41(46),42,44-tricosaene-8,13,38,43-tetramine
CID 170534691
14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 171748567
8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene
CID 170534670
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
23-methyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
CID 170187674
1,4,6,18,21,30,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2(35),3(16),5(10),6,8,11(48),12,14,17,19,21,23,25,27,29,31,33,36,38,40(47),41(46),42,44-tricosaene-8,13,38,43-tetracarbonitrile
CID 170534740
2,3-dipyridin-2-ylquinoxaline;platinum(2+);bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 50910408
16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680723
5,8-diphenyl-2,3-dipyridin-2-ylquinoxaline
CID 58161745
1,4,18,23,28,33-hexazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5,7,9,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41,43,45-tricosaene
CID 170534745
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 18737197

Frequently Asked Questions

What is the IUPAC name of 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene?
The IUPAC name of 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene (CID 163231094) is 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene.
What is the SMILES notation for 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene?
The canonical SMILES for 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene is c1ccc(-c2nc3c(nc2-c2ccccn2)c2c4cccc5c6cccnc6n(c54)c2c2c3c3cccc4c5cccnc5n2c43)nc1.
What is the InChIKey of 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene?
The InChIKey is SNEXHLALDJMYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20N8/c1-3-17-41-27(15-1)31-32(28-16-2-4-18-42-28)46-34-30-26-12-6-10-22-24-14-8-20-44-40(24)48(36(22)26)38(30)37-29(33(34)45-31)25-11-5-9-21-23-13-7-19-43-39(23)47(37)35(21)25/h1-20H.
What are the key properties of 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene?
19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene has a molecular weight of 612.66 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 19,20-dipyridin-2-yl-1,4,6,18,21,33-hexazadecacyclo[22.10.1.14,11.02,23.03,16.05,10.017,22.028,35.029,34.015,36]hexatriaconta-2,5(10),6,8,11(36),12,14,16,18,20,22,24,26,28(35),29(34),30,32-heptadecaene is sourced from PubChem (CID 163231094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).