16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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

C204H112N4O13S2 — CID 158675009

IUPAC16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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
SMILESCOc1ccc(-c2cc3oc4cc(-c5ccc(C)cc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cc8oc9ccccc9c8cc7c6c5c5cc6c(cc45)oc4ccccc46)ccc32)cc1.c1ccc2c(c1)oc1cc3c(-c4csc5ccccc45)cc4oc5cc(-c6csc7ccccc67)c6cc7oc8ccccc8c7cc6c5c4c3cc12.c1cncc(-c2cc3oc4cc(-c5cccnc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)c1
InChIInChI=1S/C68H38N2O3.C48H24O3S2.C46H28O4.C42H22N2O3/c1-3-15-41(16-4-1)69-57-23-11-7-19-43(57)51-31-39(27-29-59(51)69)47-35-65-67(55-33-53-45-21-9-13-25-61(45)71-63(53)37-49(47)55)68-56-34-54-46-22-10-14-26-62(46)72-64(54)38-50(56)48(36-66(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;1-5-13-39-25(9-1)33-17-35-29(19-41(33)49-39)31(37-23-52-45-15-7-3-11-27(37)45)21-43-47(35)48-36-18-34-26-10-2-6-14-40(26)50-42(34)20-30(36)32(22-44(48)51-43)38-24-53-46-16-8-4-12-28(38)46;1-25-11-13-26(14-12-25)31-21-43-45(37-19-35-29-7-3-5-9-39(29)48-41(35)23-33(31)37)46-38-20-36-30-8-4-6-10-40(30)49-42(36)24-34(38)32(22-44(46)50-43)27-15-17-28(47-2)18-16-27;1-3-11-35-25(9-1)31-15-33-29(19-37(31)45-35)27(23-7-5-13-43-21-23)17-39-41(33)42-34-16-32-26-10-2-4-12-36(26)46-38(32)20-30(34)28(18-40(42)47-39)24-8-6-14-44-22-24/h1-38H;1-24H;3-24H,1-2H3;1-22H
InChIKeyIEKDSBQNOYTQFP-UHFFFAOYSA-N
MW2891.29 g/mol
LogP59.83
Rot. Bonds11

About 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 158675009) has the molecular formula C204H112N4O13S2 and a molecular weight of 2891.29 g/mol. Its IUPAC name is 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 Name16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 CID158675009
Molecular FormulaC204H112N4O13S2
Molecular Weight2891.29 g/mol
Exact Mass2888.77
IUPAC Name16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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
SMILESCOc1ccc(-c2cc3oc4cc(-c5ccc(C)cc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cc8oc9ccccc9c8cc7c6c5c5cc6c(cc45)oc4ccccc46)ccc32)cc1.c1ccc2c(c1)oc1cc3c(-c4csc5ccccc45)cc4oc5cc(-c6csc7ccccc67)c6cc7oc8ccccc8c7cc6c5c4c3cc12.c1cncc(-c2cc3oc4cc(-c5cccnc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)c1
InChIInChI=1S/C68H38N2O3.C48H24O3S2.C46H28O4.C42H22N2O3/c1-3-15-41(16-4-1)69-57-23-11-7-19-43(57)51-31-39(27-29-59(51)69)47-35-65-67(55-33-53-45-21-9-13-25-61(45)71-63(53)37-49(47)55)68-56-34-54-46-22-10-14-26-62(46)72-64(54)38-50(56)48(36-66(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;1-5-13-39-25(9-1)33-17-35-29(19-41(33)49-39)31(37-23-52-45-15-7-3-11-27(37)45)21-43-47(35)48-36-18-34-26-10-2-6-14-40(26)50-42(34)20-30(36)32(22-44(48)51-43)38-24-53-46-16-8-4-12-28(38)46;1-25-11-13-26(14-12-25)31-21-43-45(37-19-35-29-7-3-5-9-39(29)48-41(35)23-33(31)37)46-38-20-36-30-8-4-6-10-40(30)49-42(36)24-34(38)32(22-44(46)50-43)27-15-17-28(47-2)18-16-27;1-3-11-35-25(9-1)31-15-33-29(19-37(31)45-35)27(23-7-5-13-43-21-23)17-39-41(33)42-34-16-32-26-10-2-4-12-36(26)46-38(32)20-30(34)28(18-40(42)47-39)24-8-6-14-44-22-24/h1-38H;1-24H;3-24H,1-2H3;1-22H
InChIKeyIEKDSBQNOYTQFP-UHFFFAOYSA-N
XLogP59.83
TPSA202.55 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002891.29
LogP ≤ 559.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 158675009) is 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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(-c2cc3oc4cc(-c5ccc(C)cc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cc8oc9ccccc9c8cc7c6c5c5cc6c(cc45)oc4ccccc46)ccc32)cc1.c1ccc2c(c1)oc1cc3c(-c4csc5ccccc45)cc4oc5cc(-c6csc7ccccc67)c6cc7oc8ccccc8c7cc6c5c4c3cc12.c1cncc(-c2cc3oc4cc(-c5cccnc5)c5cc6oc7ccccc7c6cc5c4c3c3cc4c(cc23)oc2ccccc24)c1.
What is the InChIKey of 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 IEKDSBQNOYTQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H38N2O3.C48H24O3S2.C46H28O4.C42H22N2O3/c1-3-15-41(16-4-1)69-57-23-11-7-19-43(57)51-31-39(27-29-59(51)69)47-35-65-67(55-33-53-45-21-9-13-25-61(45)71-63(53)37-49(47)55)68-56-34-54-46-22-10-14-26-62(46)72-64(54)38-50(56)48(36-66(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;1-5-13-39-25(9-1)33-17-35-29(19-41(33)49-39)31(37-23-52-45-15-7-3-11-27(37)45)21-43-47(35)48-36-18-34-26-10-2-6-14-40(26)50-42(34)20-30(36)32(22-44(48)51-43)38-24-53-46-16-8-4-12-28(38)46;1-25-11-13-26(14-12-25)31-21-43-45(37-19-35-29-7-3-5-9-39(29)48-41(35)23-33(31)37)46-38-20-36-30-8-4-6-10-40(30)49-42(36)24-34(38)32(22-44(46)50-43)27-15-17-28(47-2)18-16-27;1-3-11-35-25(9-1)31-15-33-29(19-37(31)45-35)27(23-7-5-13-43-21-23)17-39-41(33)42-34-16-32-26-10-2-4-12-36(26)46-38(32)20-30(34)28(18-40(42)47-39)24-8-6-14-44-22-24/h1-38H;1-24H;3-24H,1-2H3;1-22H.
What are the key properties of 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 2891.29 g/mol, XLogP of 59.83, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 16,22-bis(1-benzothiophen-3-yl)-12,19,26-trioxanonacyclo[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;16-(4-methoxyphenyl)-22-(4-methylphenyl)-12,19,26-trioxanonacyclo[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)-12,19,26-trioxanonacyclo[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-12,19,26-trioxanonacyclo[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 158675009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).