24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene

C61H47N3O2 — CID 164527899

IUPAC24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene
SMILESCc1cccc(C)c1-c1ncc2c(c1C)c1c(-c3cccc4oc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c3c4c5c(ncc4n2c13)C1(C)CC2CC3CC5(C)CC23C1
InChIInChI=1S/C61H47N3O2/c1-31-13-10-14-32(2)48(31)56-33(3)49-42(27-62-56)64-43-28-63-58-55(59(4)25-34-23-35-26-60(58,5)30-61(34,35)29-59)54(43)53-41(37-18-12-22-47-51(37)39-16-7-9-20-45(39)66-47)24-40(52(49)57(53)64)36-17-11-21-46-50(36)38-15-6-8-19-44(38)65-46/h6-22,24,27-28,34-35H,23,25-26,29-30H2,1-5H3
InChIKeyJYDGLGZHBWWGOU-UHFFFAOYSA-N
MW854.07 g/mol
LogP16.09
Rot. Bonds3

About 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene

24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene (PubChem CID 164527899) has the molecular formula C61H47N3O2 and a molecular weight of 854.07 g/mol. Its IUPAC name is 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene.

Molecular Properties

Compound Name24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene
PubChem CID164527899
Molecular FormulaC61H47N3O2
Molecular Weight854.07 g/mol
Exact Mass853.37
IUPAC Name24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene
SMILESCc1cccc(C)c1-c1ncc2c(c1C)c1c(-c3cccc4oc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c3c4c5c(ncc4n2c13)C1(C)CC2CC3CC5(C)CC23C1
InChIInChI=1S/C61H47N3O2/c1-31-13-10-14-32(2)48(31)56-33(3)49-42(27-62-56)64-43-28-63-58-55(59(4)25-34-23-35-26-60(58,5)30-61(34,35)29-59)54(43)53-41(37-18-12-22-47-51(37)39-16-7-9-20-45(39)66-47)24-40(52(49)57(53)64)36-17-11-21-46-50(36)38-15-6-8-19-44(38)65-46/h6-22,24,27-28,34-35H,23,25-26,29-30H2,1-5H3
InChIKeyJYDGLGZHBWWGOU-UHFFFAOYSA-N
XLogP16.09
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene with MolForge

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Related Compounds

17-dibenzofuran-1-yl-22,29-dimethyl-1,31-diazadodecacyclo[17.14.1.16,10.18,12.122,25.124,29.02,14.05,13.015,34.020,33.021,30.024,27]octatriaconta-2(14),3,5(13),15(34),16,18,20,30,32-nonaene-4-carbonitrile
CID 167115111
16,18-di(dibenzofuran-1-yl)-1,4,30-triazaundecacyclo[17.13.1.16,10.18,12.122,26.124,28.02,14.05,13.015,33.020,32.021,29]heptatriaconta-2,4,13,15(33),16,18,20,29,31-nonaene
CID 171402800
17,19-di(dibenzofuran-1-yl)-6,6,30,30-tetrakis(2,2,2-trifluoroethyl)-13,23-dioxa-1,4,32-triazanonacyclo[18.14.1.02,15.05,14.07,12.016,35.021,34.022,31.024,29]pentatriaconta-2,4,7,9,11,14,16(35),17,19,21,24,26,28,31,33-pentadecaene
CID 164528122
5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591217
CID 164528882
CID 164528882
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549
10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528253
1,6,6,11,14,24,27,38,41,51-decamethyl-16,19,22,43,46,49-hexazanonadecacyclo[49.2.2.211,14.224,27.238,41.14,46.18,30.02,50.03,47.05,33.07,32.09,18.010,15.020,29.023,28.036,45.037,42.019,59.035,56]trihexaconta-2,4(56),5(33),7(32),8(59),9,15,17,20,22,28,30,34,36,42,44,47,49-octadecaene
CID 171402664
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
11-(2,6-dimethylphenyl)-22-methylspiro[9-oxa-26-azaundecacyclo[24.13.1.116,20.118,22.02,10.03,8.012,40.013,25.015,23.027,39.030,38]dotetraconta-1,3,5,7,10,12(40),13,15(23),24,27(39),28,30(38)-dodecaene-31,1'-cyclohexane]-29-carbonitrile
CID 167115119
17-(2,6-dimethylphenyl)-1,4,31-triazadodecacyclo[17.14.1.16,10.18,12.122,25.124,29.02,14.05,13.015,34.020,33.021,30.024,27]octatriaconta-2,4,13,15(34),16,18,20,30,32-nonaene
CID 167116470
1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene
CID 171402930

Frequently Asked Questions

What is the IUPAC name of 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene?
The IUPAC name of 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene (CID 164527899) is 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene.
What is the SMILES notation for 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene?
The canonical SMILES for 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene is Cc1cccc(C)c1-c1ncc2c(c1C)c1c(-c3cccc4oc5ccccc5c34)cc(-c3cccc4oc5ccccc5c34)c3c4c5c(ncc4n2c13)C1(C)CC2CC3CC5(C)CC23C1.
What is the InChIKey of 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene?
The InChIKey is JYDGLGZHBWWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N3O2/c1-31-13-10-14-32(2)48(31)56-33(3)49-42(27-62-56)64-43-28-63-58-55(59(4)25-34-23-35-26-60(58,5)30-61(34,35)29-59)54(43)53-41(37-18-12-22-47-51(37)39-16-7-9-20-45(39)66-47)24-40(52(49)57(53)64)36-17-11-21-46-50(36)38-15-6-8-19-44(38)65-46/h6-22,24,27-28,34-35H,23,25-26,29-30H2,1-5H3.
What are the key properties of 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene?
24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene has a molecular weight of 854.07 g/mol, XLogP of 16.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 24,26-di(dibenzofuran-1-yl)-20-(2,6-dimethylphenyl)-4,11,21-trimethyl-13,16,19-triazanonacyclo[14.10.1.14,7.16,11.02,15.03,12.06,9.017,22.023,27]nonacosa-1(26),2,12,14,17,19,21,23(27),24-nonaene is sourced from PubChem (CID 164527899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).