About 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene]
24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene] (PubChem CID 158983726) has the molecular formula C182H118N10O2+10
and a molecular weight of 2477.01 g/mol. Its IUPAC name is 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene].
Frequently Asked Questions
What is the IUPAC name of 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene]?
The IUPAC name of 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene] (CID 158983726) is 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene].
What is the SMILES notation for 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene]?
The canonical SMILES for 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene] is CC(C)(C)c1cc[n+]2c(c1)-c1cccc3c1C21c2c(ccc4ccc5ccc[n+]1c5c24)C31c2ccccc2-c2ccccc21.Cc1cc2c3c(c1)-c1cc(-c4ccccc4)cc[n+]1C31c3c(ccc4ccc5ccc[n+]1c5c34)O2.Cc1cc2c3c(c1)-c1cc(C(C)(C)C)cc[n+]1C31c3c(ccc4ccc5ccc[n+]1c5c34)O2.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccc4ccc[n+]5c4c3c2C52c3c1ccc1ccc4ccc[n+]2c4c31.c1ccc2c(c1)-c1ccccc1C21c2cccc3c2C2(c4c1ccc1ccc5ccc[n+]2c5c41)[n+]1ccccc1-3.
What is the InChIKey of 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene]?
The InChIKey is WLLQLQKCHATDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2.C40H22N2.C38H22N2.C32H20N2O.C30H24N2O/c1-40(2,3)27-21-23-43-35(24-27)30-13-8-16-33-37(30)42(43)38-34(20-19-25-17-18-26-10-9-22-44(42)39(26)36(25)38)41(33)31-14-6-4-11-28(31)29-12-5-7-15-32(29)41;1-3-11-29-27(9-1)28-10-2-4-12-30(28)39(29)31-19-17-23-13-15-25-7-5-21-41-37(25)33(23)35(31)40(41)36-32(39)20-18-24-14-16-26-8-6-22-42(40)38(26)34(24)36;1-3-13-28-25(10-1)26-11-2-4-14-29(26)37(28)30-15-7-12-27-32-16-5-6-21-39(32)38(34(27)30)35-31(37)20-19-23-17-18-24-9-8-22-40(38)36(24)33(23)35;1-19-16-24-25-18-23(20-6-3-2-4-7-20)13-15-33(25)32-29(24)27(17-19)35-26-12-11-21-9-10-22-8-5-14-34(32)31(22)28(21)30(26)32;1-17-14-21-22-16-20(29(2,3)4)11-13-31(22)30-26(21)24(15-17)33-23-10-9-18-7-8-19-6-5-12-32(30)28(19)25(18)27(23)30/h4-24H,1-3H3;1-22H;1-22H;2-18H,1H3;5-16H,1-4H3/q5*+2.
What are the key properties of 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene]?
24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene] has a molecular weight of 2477.01 g/mol, XLogP of 34.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-tert-butyl-19-methyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;24-tert-butylspiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene-16,9'-fluorene];19-methyl-24-phenyl-16-oxa-5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22(27),23,25-tridecaene;spiro[6,28-diazonianonacyclo[16.12.0.02,6.02,28.03,16.04,13.05,10.021,30.024,29]triaconta-1(18),3(16),4(13),5(10),6,8,11,14,19,21(30),22,24(29),25,27-tetradecaene-17,9'-fluorene];spiro[5,27-diazoniaoctacyclo[15.10.1.01,5.02,15.03,12.04,9.021,28.022,27]octacosa-2(15),3(12),4(9),5,7,10,13,17,19,21(28),22,24,26-tridecaene-16,9'-fluorene] is sourced from PubChem (CID 158983726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).