Question 1

What is the IUPAC name of 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

Accepted Answer

The IUPAC name of 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 160954882) is 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Question 2

What is the SMILES notation for 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

Accepted Answer

The canonical SMILES for 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c43)c2)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(ccc8ccccc87)c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccc8ccccc8c7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccccc7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccccc7n6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)nc-2c13.

Question 3

What is the InChIKey of 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

Accepted Answer

The InChIKey is SWGHEPNXQWUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H26N4O.2C44H24N4O2.2C44H24N4OS.2C44H26N4O.2C42H24N4O.C41H23N5O/c1-2-11-30-27(10-1)20-21-28-26-29(22-23-31(28)30)49-37-16-6-3-12-32(37)33-24-25-39-42(45(33)49)34-13-4-7-17-38(34)50(39)46-47-36-15-9-19-41-43(36)44(48-46)35-14-5-8-18-40(35)51-41;1-2-11-30-27(10-1)20-21-28-22-23-29(26-35(28)30)49-37-16-6-3-12-31(37)32-24-25-39-42(45(32)49)33-13-4-7-17-38(33)50(39)46-47-36-15-9-19-41-43(36)44(48-46)34-14-5-8-18-40(34)51-41;1-5-15-33-26(10-1)28-21-22-35-40(43(28)47(33)25-20-23-38-31(24-25)27-11-3-7-17-36(27)49-38)29-12-2-6-16-34(29)48(35)44-45-32-14-9-19-39-41(32)42(46-44)30-13-4-8-18-37(30)50-39;1-5-15-33-26(10-1)29-22-23-35-40(43(29)47(33)25-20-21-28-27-11-3-7-17-36(27)50-39(28)24-25)30-12-2-6-16-34(30)48(35)44-45-32-14-9-19-38-41(32)42(46-44)31-13-4-8-18-37(31)49-38;1-5-15-33-26(10-1)28-21-22-35-40(43(28)47(33)25-20-23-39-31(24-25)27-11-4-8-19-38(27)50-39)29-12-2-6-16-34(29)48(35)44-45-32-14-9-18-37-41(32)42(46-44)30-13-3-7-17-36(30)49-37;1-5-15-33-26(10-1)29-22-23-35-40(43(29)47(33)25-20-21-28-27-11-4-8-19-38(27)50-39(28)24-25)30-12-2-6-16-34(30)48(35)44-45-32-14-9-18-37-41(32)42(46-44)31-13-3-7-17-36(31)49-37;1-2-12-27(13-3-1)28-14-10-15-29(26-28)47-35-20-7-4-16-30(35)31-24-25-37-40(43(31)47)32-17-5-8-21-36(32)48(37)44-45-34-19-11-23-39-41(34)42(46-44)33-18-6-9-22-38(33)49-39;1-2-11-27(12-3-1)28-21-23-29(24-22-28)47-35-17-7-4-13-30(35)31-25-26-37-40(43(31)47)32-14-5-8-18-36(32)48(37)44-45-34-16-10-20-39-41(34)42(46-44)33-15-6-9-19-38(33)49-39;1-2-13-26-25(11-1)12-9-20-32(26)45-33-18-6-3-14-27(33)28-23-24-35-38(41(28)45)29-15-4-7-19-34(29)46(35)42-43-31-17-10-22-37-39(31)40(44-42)30-16-5-8-21-36(30)47-37;1-2-11-26-24-27(21-20-25(26)10-1)45-33-16-6-3-12-28(33)29-22-23-35-38(41(29)45)30-13-4-7-17-34(30)46(35)42-43-32-15-9-19-37-39(32)40(44-42)31-14-5-8-18-36(31)47-37;1-5-14-29-24(10-1)20-23-36(42-29)46-31-16-6-2-11-25(31)26-21-22-33-37(40(26)46)27-12-3-7-17-32(27)45(33)41-43-30-15-9-19-35-38(30)39(44-41)28-13-4-8-18-34(28)47-35/h2*1-26H;4*1-24H;2*1-26H;2*1-24H;1-23H.

Question 4

What are the key properties of 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

Accepted Answer

15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 6952.90 g/mol, XLogP of 124.90, 24 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 160954882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID	160954882
Molecular Formula	C481H271N45O13S2
Molecular Weight	6952.90 g/mol
Exact Mass	6947.14
IUPAC Name	15-(12-dibenzofuran-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzofuran-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-dibenzothiophen-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-1-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-naphthalen-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-phenanthren-3-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[12-(4-phenylphenyl)indolo[3,2-c]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-(12-quinolin-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILES	c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc6c7c(cccc7n5)Oc5ccccc5-6)c43)c2)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)sc6ccccc67)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(ccc8ccccc87)c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccc8ccccc8c7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccccc7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7ccccc7n6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c45)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc7ccccc67)c45)nc-2c13
InChI	InChI=1S/2C46H26N4O.2C44H24N4O2.2C44H24N4OS.2C44H26N4O.2C42H24N4O.C41H23N5O/c1-2-11-30-27(10-1)20-21-28-26-29(22-23-31(28)30)49-37-16-6-3-12-32(37)33-24-25-39-42(45(33)49)34-13-4-7-17-38(34)50(39)46-47-36-15-9-19-41-43(36)44(48-46)35-14-5-8-18-40(35)51-41;1-2-11-30-27(10-1)20-21-28-22-23-29(26-35(28)30)49-37-16-6-3-12-31(37)32-24-25-39-42(45(32)49)33-13-4-7-17-38(33)50(39)46-47-36-15-9-19-41-43(36)44(48-46)34-14-5-8-18-40(34)51-41;1-5-15-33-26(10-1)28-21-22-35-40(43(28)47(33)25-20-23-38-31(24-25)27-11-3-7-17-36(27)49-38)29-12-2-6-16-34(29)48(35)44-45-32-14-9-19-39-41(32)42(46-44)30-13-4-8-18-37(30)50-39;1-5-15-33-26(10-1)29-22-23-35-40(43(29)47(33)25-20-21-28-27-11-3-7-17-36(27)50-39(28)24-25)30-12-2-6-16-34(30)48(35)44-45-32-14-9-19-38-41(32)42(46-44)31-13-4-8-18-37(31)49-38;1-5-15-33-26(10-1)28-21-22-35-40(43(28)47(33)25-20-23-39-31(24-25)27-11-4-8-19-38(27)50-39)29-12-2-6-16-34(29)48(35)44-45-32-14-9-18-37-41(32)42(46-44)30-13-3-7-17-36(30)49-37;1-5-15-33-26(10-1)29-22-23-35-40(43(29)47(33)25-20-21-28-27-11-4-8-19-38(27)50-39(28)24-25)30-12-2-6-16-34(30)48(35)44-45-32-14-9-18-37-41(32)42(46-44)31-13-3-7-17-36(31)49-37;1-2-12-27(13-3-1)28-14-10-15-29(26-28)47-35-20-7-4-16-30(35)31-24-25-37-40(43(31)47)32-17-5-8-21-36(32)48(37)44-45-34-19-11-23-39-41(34)42(46-44)33-18-6-9-22-38(33)49-39;1-2-11-27(12-3-1)28-21-23-29(24-22-28)47-35-17-7-4-13-30(35)31-25-26-37-40(43(31)47)32-14-5-8-18-36(32)48(37)44-45-34-16-10-20-39-41(34)42(46-44)33-15-6-9-19-38(33)49-39;1-2-13-26-25(11-1)12-9-20-32(26)45-33-18-6-3-14-27(33)28-23-24-35-38(41(28)45)29-15-4-7-19-34(29)46(35)42-43-31-17-10-22-37-39(31)40(44-42)30-16-5-8-21-36(30)47-37;1-2-11-26-24-27(21-20-25(26)10-1)45-33-16-6-3-12-28(33)29-22-23-35-38(41(29)45)30-13-4-7-17-34(30)46(35)42-43-32-15-9-19-37-39(32)40(44-42)31-14-5-8-18-36(31)47-37;1-5-14-29-24(10-1)20-23-36(42-29)46-31-16-6-2-11-25(31)26-21-22-33-37(40(26)46)27-12-3-7-17-32(27)45(33)41-43-30-15-9-19-35-38(30)39(44-41)28-13-4-8-18-34(28)47-35/h21-26H;41-24H;21-26H;21-24H;1-23H
InChIKey	SWGHEPNXQWUTHZ-UHFFFAOYSA-N
XLogP	124.90
TPSA	532.74 Å²
H-Bond Donors
H-Bond Acceptors	60
Rotatable Bonds	24
Heavy Atoms	541
Complexity	—

Rule	Value
MW ≤ 500	6952.90
LogP ≤ 5	124.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	60

Molecular Properties

Lipinski Rule of Five

Related Compounds

Frequently Asked Questions