4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

C270H158N30O2S4 — CID 157454687

IUPAC4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ncc5c6ccccc6c6cnc(-c7ccc8oc9ccccc9c8c7)nc6c5n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ncc5c6ccccc6c6cnc(-c7ccc8sc9ccccc9c8c7)nc6c5n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)cc2)cc1.c1ccc(-c2cccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7oc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc2c(c1)c1cnc(-c3ccncc3)nc1c1nc(-c3ccncc3)ncc21
InChIInChI=1S/C44H26N4O.2C44H26N4S.C38H22N4O.2C38H22N4S.C24H14N6/c1-2-9-27(10-3-1)28-17-19-29(20-18-28)30-11-8-12-31(23-30)43-45-25-37-33-13-4-5-14-34(33)38-26-46-44(48-42(38)41(37)47-43)32-21-22-40-36(24-32)35-15-6-7-16-39(35)49-40;1-3-11-27(12-4-1)30-21-31(28-13-5-2-6-14-28)23-32(22-30)44-46-26-38-34-16-8-7-15-33(34)37-25-45-43(47-41(37)42(38)48-44)29-19-20-40-36(24-29)35-17-9-10-18-39(35)49-40;1-2-9-27(10-3-1)28-17-19-29(20-18-28)30-11-8-12-31(23-30)43-45-25-37-33-13-4-5-14-34(33)38-26-46-44(48-42(38)41(37)47-43)32-21-22-40-36(24-32)35-15-6-7-16-39(35)49-40;2*1-2-9-23(10-3-1)24-11-8-12-25(19-24)37-39-21-31-27-13-4-5-14-28(27)32-22-40-38(42-36(32)35(31)41-37)26-17-18-34-30(20-26)29-15-6-7-16-33(29)43-34;1-2-8-23(9-3-1)24-14-16-25(17-15-24)37-39-21-31-27-10-4-5-11-28(27)32-22-40-38(42-36(32)35(31)41-37)26-18-19-34-30(20-26)29-12-6-7-13-33(29)43-34;1-2-4-18-17(3-1)19-13-27-23(15-5-9-25-10-6-15)29-21(19)22-20(18)14-28-24(30-22)16-7-11-26-12-8-16/h3*1-26H;3*1-22H;1-14H
InChIKeyBTFHTJGIUOKNJS-UHFFFAOYSA-N
MW3982.71 g/mol
LogP69.48
Rot. Bonds23

About 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene

4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (PubChem CID 157454687) has the molecular formula C270H158N30O2S4 and a molecular weight of 3982.71 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
PubChem CID157454687
Molecular FormulaC270H158N30O2S4
Molecular Weight3982.71 g/mol
Exact Mass3979.21
IUPAC Name4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ncc5c6ccccc6c6cnc(-c7ccc8oc9ccccc9c8c7)nc6c5n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ncc5c6ccccc6c6cnc(-c7ccc8sc9ccccc9c8c7)nc6c5n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)cc2)cc1.c1ccc(-c2cccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7oc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc2c(c1)c1cnc(-c3ccncc3)nc1c1nc(-c3ccncc3)ncc21
InChIInChI=1S/C44H26N4O.2C44H26N4S.C38H22N4O.2C38H22N4S.C24H14N6/c1-2-9-27(10-3-1)28-17-19-29(20-18-28)30-11-8-12-31(23-30)43-45-25-37-33-13-4-5-14-34(33)38-26-46-44(48-42(38)41(37)47-43)32-21-22-40-36(24-32)35-15-6-7-16-39(35)49-40;1-3-11-27(12-4-1)30-21-31(28-13-5-2-6-14-28)23-32(22-30)44-46-26-38-34-16-8-7-15-33(34)37-25-45-43(47-41(37)42(38)48-44)29-19-20-40-36(24-29)35-17-9-10-18-39(35)49-40;1-2-9-27(10-3-1)28-17-19-29(20-18-28)30-11-8-12-31(23-30)43-45-25-37-33-13-4-5-14-34(33)38-26-46-44(48-42(38)41(37)47-43)32-21-22-40-36(24-32)35-15-6-7-16-39(35)49-40;2*1-2-9-23(10-3-1)24-11-8-12-25(19-24)37-39-21-31-27-13-4-5-14-28(27)32-22-40-38(42-36(32)35(31)41-37)26-17-18-34-30(20-26)29-15-6-7-16-33(29)43-34;1-2-8-23(9-3-1)24-14-16-25(17-15-24)37-39-21-31-27-10-4-5-11-28(27)32-22-40-38(42-36(32)35(31)41-37)26-18-19-34-30(20-26)29-12-6-7-13-33(29)43-34;1-2-4-18-17(3-1)19-13-27-23(15-5-9-25-10-6-15)29-21(19)22-20(18)14-28-24(30-22)16-7-11-26-12-8-16/h3*1-26H;3*1-22H;1-14H
InChIKeyBTFHTJGIUOKNJS-UHFFFAOYSA-N
XLogP69.48
TPSA412.98 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003982.71
LogP ≤ 569.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The IUPAC name of 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene (CID 157454687) is 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene.
What is the SMILES notation for 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The canonical SMILES for 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ncc5c6ccccc6c6cnc(-c7ccc8oc9ccccc9c8c7)nc6c5n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ncc5c6ccccc6c6cnc(-c7ccc8sc9ccccc9c8c7)nc6c5n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)cc2)cc1.c1ccc(-c2cccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7oc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3ncc4c5ccccc5c5cnc(-c6ccc7sc8ccccc8c7c6)nc5c4n3)c2)cc1.c1ccc2c(c1)c1cnc(-c3ccncc3)nc1c1nc(-c3ccncc3)ncc21.
What is the InChIKey of 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
The InChIKey is BTFHTJGIUOKNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O.2C44H26N4S.C38H22N4O.2C38H22N4S.C24H14N6/c1-2-9-27(10-3-1)28-17-19-29(20-18-28)30-11-8-12-31(23-30)43-45-25-37-33-13-4-5-14-34(33)38-26-46-44(48-42(38)41(37)47-43)32-21-22-40-36(24-32)35-15-6-7-16-39(35)49-40;1-3-11-27(12-4-1)30-21-31(28-13-5-2-6-14-28)23-32(22-30)44-46-26-38-34-16-8-7-15-33(34)37-25-45-43(47-41(37)42(38)48-44)29-19-20-40-36(24-29)35-17-9-10-18-39(35)49-40;1-2-9-27(10-3-1)28-17-19-29(20-18-28)30-11-8-12-31(23-30)43-45-25-37-33-13-4-5-14-34(33)38-26-46-44(48-42(38)41(37)47-43)32-21-22-40-36(24-32)35-15-6-7-16-39(35)49-40;2*1-2-9-23(10-3-1)24-11-8-12-25(19-24)37-39-21-31-27-13-4-5-14-28(27)32-22-40-38(42-36(32)35(31)41-37)26-17-18-34-30(20-26)29-15-6-7-16-33(29)43-34;1-2-8-23(9-3-1)24-14-16-25(17-15-24)37-39-21-31-27-10-4-5-11-28(27)32-22-40-38(42-36(32)35(31)41-37)26-18-19-34-30(20-26)29-12-6-7-13-33(29)43-34;1-2-4-18-17(3-1)19-13-27-23(15-5-9-25-10-6-15)29-21(19)22-20(18)14-28-24(30-22)16-7-11-26-12-8-16/h3*1-26H;3*1-22H;1-14H.
What are the key properties of 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene?
4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene has a molecular weight of 3982.71 g/mol, XLogP of 69.48, 23 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzofuran-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3,5-diphenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-[3-(4-phenylphenyl)phenyl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(3-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4-dibenzothiophen-2-yl-17-(4-phenylphenyl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene;4,17-dipyridin-4-yl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene is sourced from PubChem (CID 157454687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).