About 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (PubChem CID 158615364) has the molecular formula C172H106N8O4
and a molecular weight of 2348.79 g/mol. Its IUPAC name is 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The IUPAC name of 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (CID 158615364) is 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.
What is the SMILES notation for 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The canonical SMILES for 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is c1cc(-c2ccc3oc4ccccc4c3c2)cc(N2c3ccc4ccccc4c3-c3ccccc3-n3c2cc2ccccc23)c1.c1cc(-c2cccc3c2oc2ccccc23)cc(N2c3cc4ccccc4cc3-c3ccccc3-n3c2cc2ccccc23)c1.c1cc(-c2cccc3c2oc2ccccc23)cc(N2c3ccccc3-c3c(ccc4ccccc34)-n3c2cc2ccc4ccccc4c23)c1.c1cc(-c2cccc3c2oc2ccccc23)cc(N2c3ccccc3-c3cc4ccccc4cc3-n3c2cc2ccccc23)c1.
What is the InChIKey of 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
The InChIKey is HXIAXXQJFCSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O.3C42H26N2O/c1-3-15-34-29(11-1)25-26-41-44(34)39-18-5-7-21-40(39)47(43-28-32-24-23-30-12-2-4-16-35(30)45(32)48(41)43)33-14-9-13-31(27-33)36-19-10-20-38-37-17-6-8-22-42(37)49-46(36)38;1-3-14-32-27(10-1)20-22-38-42(32)34-16-4-7-18-37(34)44-36-17-6-2-11-30(36)26-41(44)43(38)31-13-9-12-28(24-31)29-21-23-40-35(25-29)33-15-5-8-19-39(33)45-40;1-2-12-28-25-39-36(24-27(28)11-1)33-16-4-7-21-38(33)44-37-20-6-3-13-30(37)26-41(44)43(39)31-15-9-14-29(23-31)32-18-10-19-35-34-17-5-8-22-40(34)45-42(32)35;1-2-12-28-25-39-36(24-27(28)11-1)33-16-4-7-21-38(33)43(41-26-30-13-3-6-20-37(30)44(39)41)31-15-9-14-29(23-31)32-18-10-19-35-34-17-5-8-22-40(34)45-42(32)35/h1-28H;3*1-26H.
What are the key properties of 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?
18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene has a molecular weight of 2348.79 g/mol, XLogP of 48.35, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene;11-(3-dibenzofuran-4-ylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;17-(3-dibenzofuran-2-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;17-(3-dibenzofuran-4-ylphenyl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 158615364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).