2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine

C284H178N6O3S16 — CID 157416948

About 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine

2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine (PubChem CID 157416948) has the molecular formula C284H178N6O3S16 and a molecular weight of 4235.66 g/mol. Its IUPAC name is 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine.

Molecular Properties

• Compound Name: 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine
• PubChem CID: 157416948
• Molecular Formula: C284H178N6O3S16
• Molecular Weight: 4235.66 g/mol
• Exact Mass: 4230.95
• IUPAC Name: 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4cccnc4)cc4sc5cc(-c6cccnc6)c6cc7c(cc6c5c4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3sc4cc(-c5ccc(C)cc5)c5cc6c(cc5c4c3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccsc7c6c5c5sccc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4sc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccsc6c5c4c4sccc34)cc2)cc1.c1ccc2c(c1)oc1ccc(-c3cc4sc5cc(-c6ccc7oc8ccccc8c7c6)c6ccsc6c5c4c4sccc34)cc12.c1ccc2c(c1)sc1c(-c3cc4sc5cc(-c6cccc7c6sc6ccccc67)c6ccsc6c5c4c4sccc34)cccc12
• InChI: InChI=1S/C52H30N2S3.C52H34N2S3.C52H40OS.C48H34N2S.C40H20O2S3.C40H20S5/c1-3-11-33(12-4-1)53-43-17-9-7-15-35(43)41-27-31(19-21-45(41)53)39-29-47-49(51-37(39)23-25-55-51)50-48(57-47)30-40(38-24-26-56-52(38)50)32-20-22-46-42(28-32)36-16-8-10-18-44(36)54(46)34-13-5-2-6-14-34;1-5-13-37(14-6-1)53(38-15-7-2-8-16-38)41-25-21-35(22-26-41)45-33-47-49(51-43(45)29-31-55-51)50-48(57-47)34-46(44-30-32-56-52(44)50)36-23-27-42(28-24-36)54(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-29-15-17-30(18-16-29)35-27-47-49(41-25-45-39(23-37(35)41)33-11-7-9-13-43(33)51(45,2)3)50-42-26-46-40(34-12-8-10-14-44(34)52(46,4)5)24-38(42)36(28-48(50)54-47)31-19-21-32(53-6)22-20-31;1-47(2)39-15-7-5-13-29(39)35-19-33-31(27-11-9-17-49-25-27)23-43-45(37(33)21-41(35)47)46-38-22-42-36(30-14-6-8-16-40(30)48(42,3)4)20-34(38)32(24-44(46)51-43)28-12-10-18-50-26-28;1-3-7-31-23(5-1)29-17-21(9-11-33(29)41-31)27-19-35-37(39-25(27)13-15-43-39)38-36(45-35)20-28(26-14-16-44-40(26)38)22-10-12-34-30(18-22)24-6-2-4-8-32(24)42-34;1-3-13-31-21(7-1)23-9-5-11-25(37(23)44-31)29-19-33-35(39-27(29)15-17-41-39)36-34(43-33)20-30(28-16-18-42-40(28)36)26-12-6-10-24-22-8-2-4-14-32(22)45-38(24)26/h1-30H;1-34H;7-28H,1-6H3;5-26H,1-4H3;2*1-20H
• InChIKey: BOYOQQRYHQREEP-UHFFFAOYSA-N
• XLogP: 88.66
• TPSA: 77.63 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 309
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4235.66
LogP ≤ 5	88.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine?

The IUPAC name of 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine (CID 157416948) is 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine.

What is the SMILES notation for 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine?

The canonical SMILES for 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine is CC1(C)c2ccccc2-c2cc3c(-c4cccnc4)cc4sc5cc(-c6cccnc6)c6cc7c(cc6c5c4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3sc4cc(-c5ccc(C)cc5)c5cc6c(cc5c4c3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccsc7c6c5c5sccc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4sc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccsc6c5c4c4sccc34)cc2)cc1.c1ccc2c(c1)oc1ccc(-c3cc4sc5cc(-c6ccc7oc8ccccc8c7c6)c6ccsc6c5c4c4sccc34)cc12.c1ccc2c(c1)sc1c(-c3cc4sc5cc(-c6cccc7c6sc6ccccc67)c6ccsc6c5c4c4sccc34)cccc12.

What is the InChIKey of 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine?

The InChIKey is BOYOQQRYHQREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2S3.C52H34N2S3.C52H40OS.C48H34N2S.C40H20O2S3.C40H20S5/c1-3-11-33(12-4-1)53-43-17-9-7-15-35(43)41-27-31(19-21-45(41)53)39-29-47-49(51-37(39)23-25-55-51)50-48(57-47)30-40(38-24-26-56-52(38)50)32-20-22-46-42(28-32)36-16-8-10-18-44(36)54(46)34-13-5-2-6-14-34;1-5-13-37(14-6-1)53(38-15-7-2-8-16-38)41-25-21-35(22-26-41)45-33-47-49(51-43(45)29-31-55-51)50-48(57-47)34-46(44-30-32-56-52(44)50)36-23-27-42(28-24-36)54(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-29-15-17-30(18-16-29)35-27-47-49(41-25-45-39(23-37(35)41)33-11-7-9-13-43(33)51(45,2)3)50-42-26-46-40(34-12-8-10-14-44(34)52(46,4)5)24-38(42)36(28-48(50)54-47)31-19-21-32(53-6)22-20-31;1-47(2)39-15-7-5-13-29(39)35-19-33-31(27-11-9-17-49-25-27)23-43-45(37(33)21-41(35)47)46-38-22-42-36(30-14-6-8-16-40(30)48(42,3)4)20-34(38)32(24-44(46)51-43)28-12-10-18-50-26-28;1-3-7-31-23(5-1)29-17-21(9-11-33(29)41-31)27-19-35-37(39-25(27)13-15-43-39)38-36(45-35)20-28(26-14-16-44-40(26)38)22-10-12-34-30(18-22)24-6-2-4-8-32(24)42-34;1-3-13-31-21(7-1)23-9-5-11-25(37(23)44-31)29-19-33-35(39-27(29)15-17-41-39)36-34(43-33)20-30(28-16-18-42-40(28)36)26-12-6-10-24-22-8-2-4-14-32(22)45-38(24)26/h1-30H;1-34H;7-28H,1-6H3;5-26H,1-4H3;2*1-20H.

What are the key properties of 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine?

2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine has a molecular weight of 4235.66 g/mol, XLogP of 88.66, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(14-dibenzofuran-2-yl-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl)dibenzofuran;8,14-di(dibenzothiophen-4-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaene;N,N-diphenyl-4-[14-[4-(N-phenylanilino)phenyl]-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]aniline;16-(4-methoxyphenyl)-6,6,32,32-tetramethyl-22-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaene;9-phenyl-3-[14-(9-phenylcarbazol-3-yl)-4,11,18-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),5,8,13,15(19),16-octaen-8-yl]carbazole;3-(6,6,32,32-tetramethyl-22-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.03,15.05,13.07,12.023,35.025,33.026,31]pentatriaconta-1(20),2(18),3,5(13),7,9,11,14,16,21,23,25(33),26,28,30,34-hexadecaen-16-yl)pyridine is sourced from PubChem (CID 157416948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).