17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine

C214H118N8O2S8 — CID 157480730

IUPAC17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine
SMILESc1cc(-c2cc3cc4cc(-c5ccncc5)c5c6ccsc6ccc5c4cc3c3ccc4sccc4c23)ccn1.c1cc(-c2cc3cc4cc(-c5ccncc5)c5cc6ccsc6cc5c4cc3c3cc4sccc4cc23)ccn1.c1ccc2c(c1)oc1cc3c(cc12)c(-c1ccncc1)cc1cc2cc(-c4ccncc4)c4cc5c(cc4c2cc13)oc1ccccc15.c1ccc2c(c1)sc1c2ccc2c(-c3ccncc3)cc3cc4cc(-c5ccncc5)c5ccc6c7ccccc7sc6c5c4cc3c21.c1ccc2cc(-c3cc4cc5cc(-c6ccc7ccccc7c6)c6c(ccc7sc8ccccc8c76)c5cc4c4ccc5sc6ccccc6c5c34)ccc2c1
InChIInChI=1S/C54H30S2.C44H24N2O2.C44H24N2S2.2C36H20N2S2/c1-3-11-33-25-35(19-17-31(33)9-1)45-28-37-27-38-29-46(36-20-18-32-10-2-4-12-34(32)26-36)52-40(22-24-50-54(52)42-14-6-8-16-48(42)56-50)44(38)30-43(37)39-21-23-49-53(51(39)45)41-13-5-7-15-47(41)55-49;1-3-7-41-29(5-1)39-21-35-31(25-9-13-45-14-10-25)18-27-17-28-19-32(26-11-15-46-16-12-26)36-22-40-30-6-2-4-8-42(30)48-44(40)24-38(36)34(28)20-33(27)37(35)23-43(39)47-41;1-3-7-39-29(5-1)33-11-9-31-35(25-13-17-45-18-14-25)22-27-21-28-23-36(26-15-19-46-20-16-26)32-10-12-34-30-6-2-4-8-40(30)48-44(34)42(32)38(28)24-37(27)41(31)43(33)47-39;1-7-37-8-2-21(1)27-16-25-13-26-17-28(22-3-9-38-10-4-22)32-15-24-6-12-40-36(24)20-34(32)30(26)18-29(25)33-19-35-23(5-11-39-35)14-31(27)33;1-3-33-27(9-15-39-33)35-25(1)29-20-30-24(17-23(29)18-31(35)21-5-11-37-12-6-21)19-32(22-7-13-38-14-8-22)36-26(30)2-4-34-28(36)10-16-40-34/h1-30H;2*1-24H;2*1-20H
InChIKeyBWCXDTREXRWQOH-UHFFFAOYSA-N
MW3089.89 g/mol
LogP63.76
Rot. Bonds10

About 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine

17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine (PubChem CID 157480730) has the molecular formula C214H118N8O2S8 and a molecular weight of 3089.89 g/mol. Its IUPAC name is 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine.

Molecular Properties

Compound Name17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine
PubChem CID157480730
Molecular FormulaC214H118N8O2S8
Molecular Weight3089.89 g/mol
Exact Mass3086.71
IUPAC Name17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine
SMILESc1cc(-c2cc3cc4cc(-c5ccncc5)c5c6ccsc6ccc5c4cc3c3ccc4sccc4c23)ccn1.c1cc(-c2cc3cc4cc(-c5ccncc5)c5cc6ccsc6cc5c4cc3c3cc4sccc4cc23)ccn1.c1ccc2c(c1)oc1cc3c(cc12)c(-c1ccncc1)cc1cc2cc(-c4ccncc4)c4cc5c(cc4c2cc13)oc1ccccc15.c1ccc2c(c1)sc1c2ccc2c(-c3ccncc3)cc3cc4cc(-c5ccncc5)c5ccc6c7ccccc7sc6c5c4cc3c21.c1ccc2cc(-c3cc4cc5cc(-c6ccc7ccccc7c6)c6c(ccc7sc8ccccc8c76)c5cc4c4ccc5sc6ccccc6c5c34)ccc2c1
InChIInChI=1S/C54H30S2.C44H24N2O2.C44H24N2S2.2C36H20N2S2/c1-3-11-33-25-35(19-17-31(33)9-1)45-28-37-27-38-29-46(36-20-18-32-10-2-4-12-34(32)26-36)52-40(22-24-50-54(52)42-14-6-8-16-48(42)56-50)44(38)30-43(37)39-21-23-49-53(51(39)45)41-13-5-7-15-47(41)55-49;1-3-7-41-29(5-1)39-21-35-31(25-9-13-45-14-10-25)18-27-17-28-19-32(26-11-15-46-16-12-26)36-22-40-30-6-2-4-8-42(30)48-44(40)24-38(36)34(28)20-33(27)37(35)23-43(39)47-41;1-3-7-39-29(5-1)33-11-9-31-35(25-13-17-45-18-14-25)22-27-21-28-23-36(26-15-19-46-20-16-26)32-10-12-34-30-6-2-4-8-40(30)48-44(34)42(32)38(28)24-37(27)41(31)43(33)47-39;1-7-37-8-2-21(1)27-16-25-13-26-17-28(22-3-9-38-10-4-22)32-15-24-6-12-40-36(24)20-34(32)30(26)18-29(25)33-19-35-23(5-11-39-35)14-31(27)33;1-3-33-27(9-15-39-33)35-25(1)29-20-30-24(17-23(29)18-31(35)21-5-11-37-12-6-21)19-32(22-7-13-38-14-8-22)36-26(30)2-4-34-28(36)10-16-40-34/h1-30H;2*1-24H;2*1-20H
InChIKeyBWCXDTREXRWQOH-UHFFFAOYSA-N
XLogP63.76
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003089.89
LogP ≤ 563.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine with MolForge

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Related Compounds

CID 157225149
CID 157225149
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
1-butyl-4-methylpiperazine;bis(1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium);1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4,4-difluoro-5-(4-methylpiperazin-1-yl)pentyl]-ethylazanide;ethyl(methyl)azanide;pyridine-3-carboxylate;3-(thiolan-1-ium-1-yl)-1-benzothiophene;N-(2,2,2-trifluoroethyl)benzenecarboximidate
CID 157826301
CID 159961606
CID 159961606
tris(1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium);1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;[4,4-difluoro-5-(4-methylpiperidin-1-yl)pentyl]-ethylazanide;ethyl-[5-(4-methylpiperidin-1-yl)pentyl]azanide;ethyl-[5-(4-phenylpiperidin-1-yl)pentyl]azanide;pyridine-3-carboxylic acid;3-(thiolan-1-ium-1-yl)-1-benzothiophene;N-(2,2,2-trifluoroethyl)benzenecarboximidate
CID 160404569
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
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927
tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;pentakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4,7-bis(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163905677
2-[2-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]phenyl]pyridine
CID 57958225
3-[3-[8-[8-(3-Pyridin-3-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]phenyl]pyridine
CID 57958290
4-[6,8-Dipyridin-4-yl-2-(4,6,8-tripyridin-4-yldibenzofuran-2-yl)dibenzothiophen-4-yl]pyridine
CID 58501576
2-[2-[8-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 58501591

Frequently Asked Questions

What is the IUPAC name of 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine?
The IUPAC name of 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine (CID 157480730) is 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine.
What is the SMILES notation for 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine?
The canonical SMILES for 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine is c1cc(-c2cc3cc4cc(-c5ccncc5)c5c6ccsc6ccc5c4cc3c3ccc4sccc4c23)ccn1.c1cc(-c2cc3cc4cc(-c5ccncc5)c5cc6ccsc6cc5c4cc3c3cc4sccc4cc23)ccn1.c1ccc2c(c1)oc1cc3c(cc12)c(-c1ccncc1)cc1cc2cc(-c4ccncc4)c4cc5c(cc4c2cc13)oc1ccccc15.c1ccc2c(c1)sc1c2ccc2c(-c3ccncc3)cc3cc4cc(-c5ccncc5)c5ccc6c7ccccc7sc6c5c4cc3c21.c1ccc2cc(-c3cc4cc5cc(-c6ccc7ccccc7c6)c6c(ccc7sc8ccccc8c76)c5cc4c4ccc5sc6ccccc6c5c34)ccc2c1.
What is the InChIKey of 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine?
The InChIKey is BWCXDTREXRWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30S2.C44H24N2O2.C44H24N2S2.2C36H20N2S2/c1-3-11-33-25-35(19-17-31(33)9-1)45-28-37-27-38-29-46(36-20-18-32-10-2-4-12-34(32)26-36)52-40(22-24-50-54(52)42-14-6-8-16-48(42)56-50)44(38)30-43(37)39-21-23-49-53(51(39)45)41-13-5-7-15-47(41)55-49;1-3-7-41-29(5-1)39-21-35-31(25-9-13-45-14-10-25)18-27-17-28-19-32(26-11-15-46-16-12-26)36-22-40-30-6-2-4-8-42(30)48-44(40)24-38(36)34(28)20-33(27)37(35)23-43(39)47-41;1-3-7-39-29(5-1)33-11-9-31-35(25-13-17-45-18-14-25)22-27-21-28-23-36(26-15-19-46-20-16-26)32-10-12-34-30-6-2-4-8-40(30)48-44(34)42(32)38(28)24-37(27)41(31)43(33)47-39;1-7-37-8-2-21(1)27-16-25-13-26-17-28(22-3-9-38-10-4-22)32-15-24-6-12-40-36(24)20-34(32)30(26)18-29(25)33-19-35-23(5-11-39-35)14-31(27)33;1-3-33-27(9-15-39-33)35-25(1)29-20-30-24(17-23(29)18-31(35)21-5-11-37-12-6-21)19-32(22-7-13-38-14-8-22)36-26(30)2-4-34-28(36)10-16-40-34/h1-30H;2*1-24H;2*1-20H.
What are the key properties of 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine?
17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine has a molecular weight of 3089.89 g/mol, XLogP of 63.76, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 17,23-dinaphthalen-2-yl-8,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.09,14.024,36.025,33.026,31]hexatriaconta-1(36),2,4(16),5,7(15),9,11,13,17,19,21,23,25(33),26,28,30,34-heptadecaene;4-(23-pyridin-4-yl-7,33-dioxanonacyclo[19.15.0.03,19.04,16.06,14.08,13.024,36.026,34.027,32]hexatriaconta-1(36),2,4(16),5,8,10,12,14,17,19,21,23,25,27,29,31,34-heptadecaen-17-yl)pyridine;4-(19-pyridin-4-yl-7,25-dithiaheptacyclo[15.11.0.03,15.04,12.06,10.020,28.022,26]octacosa-1(28),2,4(12),5,8,10,13,15,17,19,21,23,26-tridecaen-13-yl)pyridine;4-(19-pyridin-4-yl-8,24-dithiaheptacyclo[15.11.0.03,15.04,12.07,11.020,28.021,25]octacosa-1(28),2,4(12),5,7(11),9,13,15,17,19,21(25),22,26-tridecaen-13-yl)pyridine;4-(23-pyridin-4-yl-6,34-dithianonacyclo[19.15.0.03,19.04,16.05,13.07,12.024,36.027,35.028,33]hexatriaconta-1(36),2,4(16),5(13),7,9,11,14,17,19,21,23,25,27(35),28,30,32-heptadecaen-17-yl)pyridine is sourced from PubChem (CID 157480730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).