Question 1

What is the IUPAC name of 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran?

Accepted Answer

The IUPAC name of 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran (CID 159209304) is 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran.

Question 2

What is the SMILES notation for 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran?

Accepted Answer

The canonical SMILES for 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran is c1cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1.c1cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)nc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)cc(-c2cccc3c2oc2cc4ccccc4cc23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)nc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3oc4c5ccccc5ccc4c3c2)cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)c1.c1cc(-c2ccc3oc4c5ccccc5ccc4c3c2)cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)c1.c1ccc2c(c1)ccc1c3cc(-c4cc5c6ccccc6c6cccc7c8ccccc8c(c4)c5c67)ccc3oc21.c1ccc2c(c1)ccc1c3cc(-c4ccc5c(c4)c4cccc6c7ccccc7c7cccc5c7c64)ccc3oc21.c1ccc2c(c1)ccc1oc3c(-c4ccc5c(c4)c4cccc6c7ccccc7c7cccc5c7c64)cccc3c12.c1ccc2cc3c(cc2c1)oc1c(-c2ccc4c(c2)c2cccc5c6ccccc6c6cccc4c6c52)cccc13.

Question 3

What is the InChIKey of 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran?

Accepted Answer

The InChIKey is KQHCISSDOSEFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/5C46H26O.2C41H23NO.4C40H22O/c1-2-13-31-27(10-1)22-23-40-39-21-8-18-32(46(39)47-45(31)40)29-12-7-11-28(24-29)30-25-41-35-16-5-3-14-33(35)37-19-9-20-38-34-15-4-6-17-36(34)42(26-30)44(41)43(37)38;1-2-12-32-27(9-1)19-21-39-40-24-30(20-22-43(40)47-46(32)39)28-10-7-11-29(23-28)31-25-41-35-15-5-3-13-33(35)37-17-8-18-38-34-14-4-6-16-36(34)42(26-31)45(41)44(37)38;1-2-12-31-27(9-1)22-24-42-43(31)40-20-6-15-32(46(40)47-42)30-11-5-10-28(25-30)29-21-23-35-38-18-7-16-36-33-13-3-4-14-34(33)37-17-8-19-39(41(35)26-29)45(37)44(36)38;1-2-10-29-26-43-42(25-28(29)9-1)40-20-6-15-32(46(40)47-43)31-12-5-11-27(23-31)30-21-22-35-38-18-7-16-36-33-13-3-4-14-34(33)37-17-8-19-39(41(35)24-30)45(37)44(36)38;1-2-11-32-27(8-1)18-22-40-42-26-31(20-23-43(42)47-46(32)40)29-10-5-9-28(24-29)30-19-21-35-38-16-6-14-36-33-12-3-4-13-34(33)37-15-7-17-39(41(35)25-30)45(37)44(36)38;1-3-12-27-25(10-1)30-15-7-16-31-26-11-2-4-13-28(26)35-23-24(22-34(27)40(35)39(30)31)36-19-9-20-37(42-36)33-18-8-17-32-29-14-5-6-21-38(29)43-41(32)33;1-2-10-26-25(9-1)29-12-5-14-31-27-22-21-24(23-35(27)32-15-6-13-30(26)40(32)39(29)31)36-18-8-19-37(42-36)34-17-7-16-33-28-11-3-4-20-38(28)43-41(33)34;1-2-9-26-23(8-1)16-18-33-34-20-24(17-19-37(34)41-40(26)33)25-21-35-29-12-5-3-10-27(29)31-14-7-15-32-28-11-4-6-13-30(28)36(22-25)39(35)38(31)32;1-2-9-25-23(8-1)19-21-36-37(25)34-17-5-12-26(40(34)41-36)24-18-20-29-32-15-6-13-30-27-10-3-4-11-28(27)31-14-7-16-33(35(29)22-24)39(31)38(30)32;1-2-9-24-22-37-36(20-23(24)8-1)34-17-5-12-26(40(34)41-37)25-18-19-29-32-15-6-13-30-27-10-3-4-11-28(27)31-14-7-16-33(35(29)21-25)39(31)38(30)32;1-2-8-26-23(7-1)15-19-34-36-22-25(17-20-37(36)41-40(26)34)24-16-18-29-32-13-5-11-30-27-9-3-4-10-28(27)31-12-6-14-33(35(29)21-24)39(31)38(30)32/h5*1-26H;2*1-23H;4*1-22H.

Question 4

What are the key properties of 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran?

Accepted Answer

2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran has a molecular weight of 6139.31 g/mol, XLogP of 134.79, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 159209304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran
PubChem CID	159209304
Molecular Formula	C472H264N2O11
Molecular Weight	6139.31 g/mol
Exact Mass	6134.02
IUPAC Name	2-dibenzofuran-4-yl-6-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)pyridine;2-dibenzofuran-4-yl-6-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)pyridine;4-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,3-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[1,2-b][1]benzofuran;8-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)naphtho[2,1-b][1]benzofuran;8-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)naphtho[1,2-b][1]benzofuran;4-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,3-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;8-[3-(4-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaenyl)phenyl]naphtho[2,1-b][1]benzofuran;8-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran;10-[3-(10-hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaenyl)phenyl]naphtho[1,2-b][1]benzofuran
SMILES	c1cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)cc(-c2cccc3c2oc2c4ccccc4ccc32)c1.c1cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)nc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)cc(-c2cccc3c2oc2cc4ccccc4cc23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)cc(-c2cccc3c2oc2ccc4ccccc4c23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)nc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc3oc4c5ccccc5ccc4c3c2)cc(-c2cc3c4ccccc4c4cccc5c6ccccc6c(c2)c3c45)c1.c1cc(-c2ccc3oc4c5ccccc5ccc4c3c2)cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc3c5c42)c1.c1ccc2c(c1)ccc1c3cc(-c4cc5c6ccccc6c6cccc7c8ccccc8c(c4)c5c67)ccc3oc21.c1ccc2c(c1)ccc1c3cc(-c4ccc5c(c4)c4cccc6c7ccccc7c7cccc5c7c64)ccc3oc21.c1ccc2c(c1)ccc1oc3c(-c4ccc5c(c4)c4cccc6c7ccccc7c7cccc5c7c64)cccc3c12.c1ccc2cc3c(cc2c1)oc1c(-c2ccc4c(c2)c2cccc5c6ccccc6c6cccc4c6c52)cccc13
InChI	InChI=1S/5C46H26O.2C41H23NO.4C40H22O/c1-2-13-31-27(10-1)22-23-40-39-21-8-18-32(46(39)47-45(31)40)29-12-7-11-28(24-29)30-25-41-35-16-5-3-14-33(35)37-19-9-20-38-34-15-4-6-17-36(34)42(26-30)44(41)43(37)38;1-2-12-32-27(9-1)19-21-39-40-24-30(20-22-43(40)47-46(32)39)28-10-7-11-29(23-28)31-25-41-35-15-5-3-13-33(35)37-17-8-18-38-34-14-4-6-16-36(34)42(26-31)45(41)44(37)38;1-2-12-31-27(9-1)22-24-42-43(31)40-20-6-15-32(46(40)47-42)30-11-5-10-28(25-30)29-21-23-35-38-18-7-16-36-33-13-3-4-14-34(33)37-17-8-19-39(41(35)26-29)45(37)44(36)38;1-2-10-29-26-43-42(25-28(29)9-1)40-20-6-15-32(46(40)47-43)31-12-5-11-27(23-31)30-21-22-35-38-18-7-16-36-33-13-3-4-14-34(33)37-17-8-19-39(41(35)24-30)45(37)44(36)38;1-2-11-32-27(8-1)18-22-40-42-26-31(20-23-43(42)47-46(32)40)29-10-5-9-28(24-29)30-19-21-35-38-16-6-14-36-33-12-3-4-13-34(33)37-15-7-17-39(41(35)25-30)45(37)44(36)38;1-3-12-27-25(10-1)30-15-7-16-31-26-11-2-4-13-28(26)35-23-24(22-34(27)40(35)39(30)31)36-19-9-20-37(42-36)33-18-8-17-32-29-14-5-6-21-38(29)43-41(32)33;1-2-10-26-25(9-1)29-12-5-14-31-27-22-21-24(23-35(27)32-15-6-13-30(26)40(32)39(29)31)36-18-8-19-37(42-36)34-17-7-16-33-28-11-3-4-20-38(28)43-41(33)34;1-2-9-26-23(8-1)16-18-33-34-20-24(17-19-37(34)41-40(26)33)25-21-35-29-12-5-3-10-27(29)31-14-7-15-32-28-11-4-6-13-30(28)36(22-25)39(35)38(31)32;1-2-9-25-23(8-1)19-21-36-37(25)34-17-5-12-26(40(34)41-36)24-18-20-29-32-15-6-13-30-27-10-3-4-11-28(27)31-14-7-16-33(35(29)22-24)39(31)38(30)32;1-2-9-24-22-37-36(20-23(24)8-1)34-17-5-12-26(40(34)41-37)25-18-19-29-32-15-6-13-30-27-10-3-4-11-28(27)31-14-7-16-33(35(29)21-25)39(31)38(30)32;1-2-8-26-23(7-1)15-19-34-36-22-25(17-20-37(36)41-40(26)34)24-16-18-29-32-13-5-11-30-27-9-3-4-10-28(27)31-12-6-14-33(35(29)21-24)39(31)38(30)32/h51-26H;21-23H;4*1-22H
InChIKey	KQHCISSDOSEFLT-UHFFFAOYSA-N
XLogP	134.79
TPSA	170.32 Å²
H-Bond Donors
H-Bond Acceptors	13
Rotatable Bonds	18
Heavy Atoms	485
Complexity	—

Rule	Value
MW ≤ 500	6139.31
LogP ≤ 5	134.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Molecular Properties

Lipinski Rule of Five

Related Compounds

Frequently Asked Questions