4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine

C228H160N4OS6 — CID 162240412

IUPAC4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4cccnc4)cc4c5cc(-c6cccnc6)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4csc5ccccc45)cc4c5cc(-c6csc7ccccc67)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4sc3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1
InChIInChI=1S/C74H50N2S.C54H36S3.C52H40OS.C48H34N2S/c1-73(2)63-27-15-11-23-47(63)55-39-53-51(43-31-33-69-57(35-43)49-25-13-17-29-67(49)75(69)45-19-7-5-8-20-45)37-59-60-38-52(44-32-34-70-58(36-44)50-26-14-18-30-68(50)76(70)46-21-9-6-10-22-46)54-40-56-48-24-12-16-28-64(48)74(3,4)66(56)42-62(54)72(60)77-71(59)61(53)41-65(55)73;1-53(2)45-17-9-5-13-29(45)37-21-33-35(43-27-55-49-19-11-7-15-31(43)49)23-39-40-24-36(44-28-56-50-20-12-8-16-32(44)50)34-22-38-30-14-6-10-18-46(30)54(3,4)48(38)26-42(34)52(40)57-51(39)41(33)25-47(37)53;1-29-15-17-30(18-16-29)35-23-41-42-24-36(31-19-21-32(53-6)22-20-31)38-26-40-34-12-8-10-14-46(34)52(4,5)48(40)28-44(38)50(42)54-49(41)43-27-47-39(25-37(35)43)33-11-7-9-13-45(33)51(47,2)3;1-47(2)41-15-7-5-13-29(41)35-21-33-31(27-11-9-17-49-25-27)19-37-38-20-32(28-12-10-18-50-26-28)34-22-36-30-14-6-8-16-42(30)48(3,4)44(36)24-40(34)46(38)51-45(37)39(33)23-43(35)47/h5-42H,1-4H3;5-28H,1-4H3;7-28H,1-6H3;5-26H,1-4H3
InChIKeyZWPUYWBAJMWEQE-UHFFFAOYSA-N
MW3164.22 g/mol
LogP64.96
Rot. Bonds11

About 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine

4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine (PubChem CID 162240412) has the molecular formula C228H160N4OS6 and a molecular weight of 3164.22 g/mol. Its IUPAC name is 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine.

Molecular Properties

Compound Name4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine
PubChem CID162240412
Molecular FormulaC228H160N4OS6
Molecular Weight3164.22 g/mol
Exact Mass3161.09
IUPAC Name4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4cccnc4)cc4c5cc(-c6cccnc6)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4csc5ccccc45)cc4c5cc(-c6csc7ccccc67)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4sc3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1
InChIInChI=1S/C74H50N2S.C54H36S3.C52H40OS.C48H34N2S/c1-73(2)63-27-15-11-23-47(63)55-39-53-51(43-31-33-69-57(35-43)49-25-13-17-29-67(49)75(69)45-19-7-5-8-20-45)37-59-60-38-52(44-32-34-70-58(36-44)50-26-14-18-30-68(50)76(70)46-21-9-6-10-22-46)54-40-56-48-24-12-16-28-64(48)74(3,4)66(56)42-62(54)72(60)77-71(59)61(53)41-65(55)73;1-53(2)45-17-9-5-13-29(45)37-21-33-35(43-27-55-49-19-11-7-15-31(43)49)23-39-40-24-36(44-28-56-50-20-12-8-16-32(44)50)34-22-38-30-14-6-10-18-46(30)54(3,4)48(38)26-42(34)52(40)57-51(39)41(33)25-47(37)53;1-29-15-17-30(18-16-29)35-23-41-42-24-36(31-19-21-32(53-6)22-20-31)38-26-40-34-12-8-10-14-46(34)52(4,5)48(40)28-44(38)50(42)54-49(41)43-27-47-39(25-37(35)43)33-11-7-9-13-45(33)51(47,2)3;1-47(2)41-15-7-5-13-29(41)35-21-33-31(27-11-9-17-49-25-27)19-37-38-20-32(28-12-10-18-50-26-28)34-22-36-30-14-6-8-16-42(30)48(3,4)44(36)24-40(34)46(38)51-45(37)39(33)23-43(35)47/h5-42H,1-4H3;5-28H,1-4H3;7-28H,1-6H3;5-26H,1-4H3
InChIKeyZWPUYWBAJMWEQE-UHFFFAOYSA-N
XLogP64.96
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003164.22
LogP ≤ 564.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine with MolForge

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Related Compounds

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2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine?
The IUPAC name of 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine (CID 162240412) is 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine.
What is the SMILES notation for 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine?
The canonical SMILES for 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine is CC1(C)c2ccccc2-c2cc3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4cccnc4)cc4c5cc(-c6cccnc6)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4csc5ccccc45)cc4c5cc(-c6csc7ccccc67)c6cc7c(cc6c5sc4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4sc3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1.
What is the InChIKey of 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine?
The InChIKey is ZWPUYWBAJMWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2S.C54H36S3.C52H40OS.C48H34N2S/c1-73(2)63-27-15-11-23-47(63)55-39-53-51(43-31-33-69-57(35-43)49-25-13-17-29-67(49)75(69)45-19-7-5-8-20-45)37-59-60-38-52(44-32-34-70-58(36-44)50-26-14-18-30-68(50)76(70)46-21-9-6-10-22-46)54-40-56-48-24-12-16-28-64(48)74(3,4)66(56)42-62(54)72(60)77-71(59)61(53)41-65(55)73;1-53(2)45-17-9-5-13-29(45)37-21-33-35(43-27-55-49-19-11-7-15-31(43)49)23-39-40-24-36(44-28-56-50-20-12-8-16-32(44)50)34-22-38-30-14-6-10-18-46(30)54(3,4)48(38)26-42(34)52(40)57-51(39)41(33)25-47(37)53;1-29-15-17-30(18-16-29)35-23-41-42-24-36(31-19-21-32(53-6)22-20-31)38-26-40-34-12-8-10-14-46(34)52(4,5)48(40)28-44(38)50(42)54-49(41)43-27-47-39(25-37(35)43)33-11-7-9-13-45(33)51(47,2)3;1-47(2)41-15-7-5-13-29(41)35-21-33-31(27-11-9-17-49-25-27)19-37-38-20-32(28-12-10-18-50-26-28)34-22-36-30-14-6-8-16-42(30)48(3,4)44(36)24-40(34)46(38)51-45(37)39(33)23-43(35)47/h5-42H,1-4H3;5-28H,1-4H3;7-28H,1-6H3;5-26H,1-4H3.
What are the key properties of 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine?
4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine has a molecular weight of 3164.22 g/mol, XLogP of 64.96, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaene;9-phenyl-3-[14,14,24,24-tetramethyl-34-(9-phenylcarbazol-3-yl)-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl]carbazole;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-thianonacyclo[18.15.0.02,18.05,17.07,15.08,13.021,33.023,31.025,30]pentatriaconta-1(20),2(18),3,5,7(15),8,10,12,16,21,23(31),25,27,29,32,34-hexadecaen-4-yl)pyridine is sourced from PubChem (CID 162240412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).