16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine

C272H154N6O11S7 — CID 157499296

About 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine

16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine (PubChem CID 157499296) has the molecular formula C272H154N6O11S7 and a molecular weight of 3906.72 g/mol. Its IUPAC name is 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine.

Molecular Properties

• Compound Name: 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine
• PubChem CID: 157499296
• Molecular Formula: C272H154N6O11S7
• Molecular Weight: 3906.72 g/mol
• Exact Mass: 3902.97
• IUPAC Name: 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine
• SMILES: COc1ccc(-c2cc3sc4cc(-c5ccc(C)cc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cc8oc9ccccc9c8cc7c6c5c5cc6c(cc45)oc4ccccc46)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4sc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cc7oc8ccccc8c7cc6c5c4c4cc5c(cc34)oc3ccccc35)cc2)cc1.c1ccc2c(c1)oc1cc3c(-c4csc5ccccc45)cc4sc5cc(-c6csc7ccccc67)c6cc7oc8ccccc8c7cc6c5c4c3cc12.c1cncc(-c2cc3sc4cc(-c5cccnc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)c1
• InChI: InChI=1S/C68H38N2O2S.C68H42N2O2S.C48H24O2S3.C46H28O3S.C42H22N2O2S/c1-3-15-41(16-4-1)69-57-23-11-7-19-43(57)51-31-39(27-29-59(51)69)47-37-65-67(55-33-53-45-21-9-13-25-61(45)71-63(53)35-49(47)55)68-56-34-54-46-22-10-14-26-62(46)72-64(54)36-50(56)48(38-66(68)73-65)40-28-30-60-52(32-40)44-20-8-12-24-58(44)70(60)42-17-5-2-6-18-42;1-5-17-45(18-6-1)69(46-19-7-2-8-20-46)49-33-29-43(30-34-49)53-41-65-67(59-37-57-51-25-13-15-27-61(51)71-63(57)39-55(53)59)68-60-38-58-52-26-14-16-28-62(52)72-64(58)40-56(60)54(42-66(68)73-65)44-31-35-50(36-32-44)70(47-21-9-3-10-22-47)48-23-11-4-12-24-48;1-5-13-39-25(9-1)33-17-35-29(19-41(33)49-39)31(37-23-51-43-15-7-3-11-27(37)43)21-45-47(35)48-36-18-34-26-10-2-6-14-40(26)50-42(34)20-30(36)32(22-46(48)53-45)38-24-52-44-16-8-4-12-28(38)44;1-25-11-13-26(14-12-25)31-23-43-45(37-19-35-29-7-3-5-9-39(29)48-41(35)21-33(31)37)46-38-20-36-30-8-4-6-10-40(30)49-42(36)22-34(38)32(24-44(46)50-43)27-15-17-28(47-2)18-16-27;1-3-11-35-25(9-1)31-15-33-29(17-37(31)45-35)27(23-7-5-13-43-21-23)19-39-41(33)42-34-16-32-26-10-2-4-12-36(26)46-38(32)18-30(34)28(20-40(42)47-39)24-8-6-14-44-22-24/h1-38H;1-42H;1-24H;3-24H,1-2H3;1-22H
• InChIKey: BYFFHDXIRBCBAO-UHFFFAOYSA-N
• XLogP: 82.14
• TPSA: 182.75 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3906.72
LogP ≤ 5	82.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine?

The IUPAC name of 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine (CID 157499296) is 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine.

What is the SMILES notation for 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine?

The canonical SMILES for 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine is COc1ccc(-c2cc3sc4cc(-c5ccc(C)cc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5sc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cc8oc9ccccc9c8cc7c6c5c5cc6c(cc45)oc4ccccc46)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4sc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cc7oc8ccccc8c7cc6c5c4c4cc5c(cc34)oc3ccccc35)cc2)cc1.c1ccc2c(c1)oc1cc3c(-c4csc5ccccc45)cc4sc5cc(-c6csc7ccccc67)c6cc7oc8ccccc8c7cc6c5c4c3cc12.c1cncc(-c2cc3sc4cc(-c5cccnc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)c1.

What is the InChIKey of 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine?

The InChIKey is BYFFHDXIRBCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N2O2S.C68H42N2O2S.C48H24O2S3.C46H28O3S.C42H22N2O2S/c1-3-15-41(16-4-1)69-57-23-11-7-19-43(57)51-31-39(27-29-59(51)69)47-37-65-67(55-33-53-45-21-9-13-25-61(45)71-63(53)35-49(47)55)68-56-34-54-46-22-10-14-26-62(46)72-64(54)36-50(56)48(38-66(68)73-65)40-28-30-60-52(32-40)44-20-8-12-24-58(44)70(60)42-17-5-2-6-18-42;1-5-17-45(18-6-1)69(46-19-7-2-8-20-46)49-33-29-43(30-34-49)53-41-65-67(59-37-57-51-25-13-15-27-61(51)71-63(57)39-55(53)59)68-60-38-58-52-26-14-16-28-62(52)72-64(58)40-56(60)54(42-66(68)73-65)44-31-35-50(36-32-44)70(47-21-9-3-10-22-47)48-23-11-4-12-24-48;1-5-13-39-25(9-1)33-17-35-29(19-41(33)49-39)31(37-23-51-43-15-7-3-11-27(37)43)21-45-47(35)48-36-18-34-26-10-2-6-14-40(26)50-42(34)20-30(36)32(22-46(48)53-45)38-24-52-44-16-8-4-12-28(38)44;1-25-11-13-26(14-12-25)31-23-43-45(37-19-35-29-7-3-5-9-39(29)48-41(35)21-33(31)37)46-38-20-36-30-8-4-6-10-40(30)49-42(36)22-34(38)32(24-44(46)50-43)27-15-17-28(47-2)18-16-27;1-3-11-35-25(9-1)31-15-33-29(17-37(31)45-35)27(23-7-5-13-43-21-23)19-39-41(33)42-34-16-32-26-10-2-4-12-36(26)46-38(32)18-30(34)28(20-40(42)47-39)24-8-6-14-44-22-24/h1-38H;1-42H;1-24H;3-24H,1-2H3;1-22H.

What are the key properties of 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine?

16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine has a molecular weight of 3906.72 g/mol, XLogP of 82.14, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 16,22-bis(1-benzothiophen-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;N,N-diphenyl-4-[22-[4-(N-phenylanilino)phenyl]-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]aniline;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaene;9-phenyl-3-[22-(9-phenylcarbazol-3-yl)-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl]carbazole;3-(22-pyridin-3-yl-12,26-dioxa-19-thianonacyclo[18.15.0.02,18.03,15.05,13.06,11.023,35.025,33.027,32]pentatriaconta-1(20),2(18),3(15),4,6,8,10,13,16,21,23(35),24,27,29,31,33-hexadecaen-16-yl)pyridine is sourced from PubChem (CID 157499296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).