About 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];24-methylspiro[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];24-phenylspiro[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];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-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];24-methylspiro[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];24-phenylspiro[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];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 160666860) has the molecular formula C203H124N10+10
and a molecular weight of 2703.29 g/mol. Its IUPAC name is 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];24-methylspiro[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];24-phenylspiro[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];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-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];24-methylspiro[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];24-phenylspiro[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];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-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];24-methylspiro[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];24-phenylspiro[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];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 160666860) is 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];24-methylspiro[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];24-phenylspiro[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];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-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];24-methylspiro[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];24-phenylspiro[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];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-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];24-methylspiro[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];24-phenylspiro[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];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.Cc1cc[n+]2c(c1)-c1cccc3c1C21c2c(ccc4ccc5ccc[n+]1c5c24)C31c2ccccc2-c2ccccc21.c1ccc(-c2cc[n+]3c(c2)-c2cccc4c2C32c3c(ccc5ccc6ccc[n+]2c6c35)C42c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccc3ccc4ccc[n+]5c4c3c2C52c3c1ccc1ccc4ccc[n+]2c4c31.c1ccc2c(c1)-c1ccccc1C21c2cccc3c2C2(c4c1ccc1ccc5ccc[n+]2c5c41)[n+]1ccccc1-3.
What is the InChIKey of 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];24-methylspiro[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];24-phenylspiro[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];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 XNMIYHRVBCVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2.C42H30N2.C40H22N2.C39H24N2.C38H22N2/c1-2-10-27(11-3-1)30-23-25-45-38(26-30)33-15-8-18-36-40(33)44(45)41-37(22-21-28-19-20-29-12-9-24-46(44)42(29)39(28)41)43(36)34-16-6-4-13-31(34)32-14-5-7-17-35(32)43;1-40(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;1-23-19-21-40-33(22-23)28-11-6-14-31-35(28)39(40)36-32(18-17-24-15-16-25-8-7-20-41(39)37(25)34(24)36)38(31)29-12-4-2-9-26(29)27-10-3-5-13-30(27)38;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/h1-26H;4-24H,1-3H3;1-22H;2-22H,1H3;1-22H/q5*+2.
What are the key properties of 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];24-methylspiro[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];24-phenylspiro[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];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-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];24-methylspiro[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];24-phenylspiro[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];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 2703.29 g/mol, XLogP of 38.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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];24-methylspiro[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];24-phenylspiro[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];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 160666860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).