4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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

C194H130N2O7S4 — CID 158419158

IUPAC4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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(-c4cccnc4)cc4c5cc(-c6cccnc6)c6cc7c(cc6c5oc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4csc5ccccc45)cc4c5cc(-c6csc7ccccc67)c6cc7c(cc6c5oc4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4oc3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1.c1ccc2c(c1)oc1ccc(-c3cc4c5cc(-c6ccc7oc8ccccc8c7c6)c6ccsc6c5oc4c4sccc34)cc12
InChIInChI=1S/C54H36OS2.C52H40O2.C48H34N2O.C40H20O3S2/c1-53(2)45-17-9-5-13-29(45)37-21-33-35(43-27-56-49-19-11-7-15-31(43)49)23-39-40-24-36(44-28-57-50-20-12-8-16-32(44)50)34-22-38-30-14-6-10-18-46(30)54(3,4)48(38)26-42(34)52(40)55-51(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;1-3-7-33-23(5-1)29-17-21(9-11-35(29)41-33)27-19-31-32-20-28(22-10-12-36-30(18-22)24-6-2-4-8-34(24)42-36)26-14-16-45-40(26)38(32)43-37(31)39-25(27)13-15-44-39/h5-28H,1-4H3;7-28H,1-6H3;5-26H,1-4H3;1-20H
InChIKeyHAGUOGWINRMVOB-UHFFFAOYSA-N
MW2729.45 g/mol
LogP56.20
Rot. Bonds9

About 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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 158419158) has the molecular formula C194H130N2O7S4 and a molecular weight of 2729.45 g/mol. Its IUPAC name is 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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 CID158419158
Molecular FormulaC194H130N2O7S4
Molecular Weight2729.45 g/mol
Exact Mass2726.88
IUPAC Name4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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(-c4cccnc4)cc4c5cc(-c6cccnc6)c6cc7c(cc6c5oc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4csc5ccccc45)cc4c5cc(-c6csc7ccccc67)c6cc7c(cc6c5oc4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4oc3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1.c1ccc2c(c1)oc1ccc(-c3cc4c5cc(-c6ccc7oc8ccccc8c7c6)c6ccsc6c5oc4c4sccc34)cc12
InChIInChI=1S/C54H36OS2.C52H40O2.C48H34N2O.C40H20O3S2/c1-53(2)45-17-9-5-13-29(45)37-21-33-35(43-27-56-49-19-11-7-15-31(43)49)23-39-40-24-36(44-28-57-50-20-12-8-16-32(44)50)34-22-38-30-14-6-10-18-46(30)54(3,4)48(38)26-42(34)52(40)55-51(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;1-3-7-33-23(5-1)29-17-21(9-11-35(29)41-33)27-19-31-32-20-28(22-10-12-36-30(18-22)24-6-2-4-8-34(24)42-36)26-14-16-45-40(26)38(32)43-37(31)39-25(27)13-15-44-39/h5-28H,1-4H3;7-28H,1-6H3;5-26H,1-4H3;1-20H
InChIKeyHAGUOGWINRMVOB-UHFFFAOYSA-N
XLogP56.20
TPSA113.85 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002729.45
LogP ≤ 556.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
1,4-Difluoro-2,5-dimethylbenzene;4,7-dimethyl-1-benzothiophene;1,4-dimethyldibenzofuran;5,8-dimethylisoquinoline;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;1,3-xylene;1,4-xylene
CID 160324263
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
8-[15,15-Bis(1-benzofuran-2-yl)-22-(1-benzothiophen-2-yl)-5,5,25,25-tetramethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]quinoline
CID 59413470
3-[4-(14-Dibenzothiophen-4-yl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-15-yl)phenyl]pyridine
CID 89516515
3-[4-(10-Oxa-28-thiaheptacyclo[15.11.0.02,14.03,11.04,9.018,27.020,25]octacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26-tridecaen-13-yl)phenyl]pyridine
CID 89951337
4,20-Bis(1-benzothiophen-3-yl)-12-oxa-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 89958480
4,20-Di(dibenzothiophen-4-yl)-12-oxa-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 89958486
3-(18-Pyridin-3-yl-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaen-4-yl)pyridine
CID 89958493
9,15-Di(dibenzothiophen-4-yl)-12-oxa-6,18-diazapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
CID 89958525
3-(14-Pyridin-3-yl-11-oxa-4,18-dithiapentacyclo[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)pyridine
CID 89958528
4,20-Di(dibenzofuran-2-yl)-12-thia-7,17-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 89958568

Frequently Asked Questions

What is the IUPAC name of 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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 158419158) is 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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(-c4cccnc4)cc4c5cc(-c6cccnc6)c6cc7c(cc6c5oc4c3cc21)C(C)(C)c1ccccc1-7.CC1(C)c2ccccc2-c2cc3c(-c4csc5ccccc45)cc4c5cc(-c6csc7ccccc67)c6cc7c(cc6c5oc4c3cc21)C(C)(C)c1ccccc1-7.COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4oc3c3cc4c(cc23)-c2ccccc2C4(C)C)C(C)(C)c2ccccc2-6)cc1.c1ccc2c(c1)oc1ccc(-c3cc4c5cc(-c6ccc7oc8ccccc8c7c6)c6ccsc6c5oc4c4sccc34)cc12.
What is the InChIKey of 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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 HAGUOGWINRMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36OS2.C52H40O2.C48H34N2O.C40H20O3S2/c1-53(2)45-17-9-5-13-29(45)37-21-33-35(43-27-56-49-19-11-7-15-31(43)49)23-39-40-24-36(44-28-57-50-20-12-8-16-32(44)50)34-22-38-30-14-6-10-18-46(30)54(3,4)48(38)26-42(34)52(40)55-51(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;1-3-7-33-23(5-1)29-17-21(9-11-35(29)41-33)27-19-31-32-20-28(22-10-12-36-30(18-22)24-6-2-4-8-34(24)42-36)26-14-16-45-40(26)38(32)43-37(31)39-25(27)13-15-44-39/h5-28H,1-4H3;7-28H,1-6H3;5-26H,1-4H3;1-20H.
What are the key properties of 4,34-bis(1-benzothiophen-3-yl)-14,14,24,24-tetramethyl-19-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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 2729.45 g/mol, XLogP of 56.20, 9 rotatable bonds, 0 hydrogen bond donors, and 13 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-oxanonacyclo[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;4,18-di(dibenzofuran-2-yl)-11-oxa-8,14-dithiapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(19),2,4,6,9,12,15,17-octaene;4-(4-methoxyphenyl)-14,14,24,24-tetramethyl-34-(4-methylphenyl)-19-oxanonacyclo[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;3-(14,14,24,24-tetramethyl-34-pyridin-3-yl-19-oxanonacyclo[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 158419158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).