4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene

C228H132N8O9S2 — CID 157208762

IUPAC4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
SMILESCOc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4oc3c3cc4c5ccccc5n(-c5ccccc5)c4cc23)c2ccccc2n6-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccnc2)cc2c3cc(-c5cccnc5)c5cc6c(cc5c3oc42)c2ccccc2n6-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2csc3ccccc23)cc2c3cc(-c5csc6ccccc56)c5cc6c(cc5c3oc42)c2ccccc2n6-c2ccccc2)cc1.c1ccc2c(c1)oc1ccc(-c3cc4c5cc(-c6ccc7oc8ccccc8c7c6)c6c(ccc7oc8ccccc8c76)c5oc4c4ccc5oc6ccccc6c5c34)cc12
InChIInChI=1S/C60H34N2OS2.C58H38N2O2.C56H28O5.C54H32N4O/c1-3-15-35(16-4-1)61-53-23-11-7-19-37(53)45-29-47-43(31-55(45)61)41(51-33-64-57-25-13-9-21-39(51)57)27-49-50-28-42(52-34-65-58-26-14-10-22-40(52)58)44-32-56-46(30-48(44)60(50)63-59(47)49)38-20-8-12-24-54(38)62(56)36-17-5-2-6-18-36;1-35-21-23-36(24-22-35)43-29-51-52-30-44(37-25-27-40(61-2)28-26-37)46-34-56-48(42-18-10-12-20-54(42)60(56)39-15-7-4-8-16-39)32-50(46)58(52)62-57(51)49-31-47-41-17-9-11-19-53(41)59(55(47)33-45(43)49)38-13-5-3-6-14-38;1-5-13-43-31(9-1)39-25-29(17-21-47(39)57-43)37-27-41-42-28-38(30-18-22-48-40(26-30)32-10-2-6-14-44(32)58-48)52-36(20-24-50-54(52)34-12-4-8-16-46(34)60-50)56(42)61-55(41)35-19-23-49-53(51(35)37)33-11-3-7-15-45(33)59-49;1-3-15-35(16-4-1)57-49-21-9-7-19-37(49)43-27-45-41(29-51(43)57)39(33-13-11-23-55-31-33)25-47-48-26-40(34-14-12-24-56-32-34)42-30-52-44(28-46(42)54(48)59-53(45)47)38-20-8-10-22-50(38)58(52)36-17-5-2-6-18-36/h1-34H;3-34H,1-2H3;1-28H;1-32H
InChIKeyARQOPRXGNGRYPM-UHFFFAOYSA-N
MW3191.74 g/mol
LogP64.62
Rot. Bonds15

About 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene

4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene (PubChem CID 157208762) has the molecular formula C228H132N8O9S2 and a molecular weight of 3191.74 g/mol. Its IUPAC name is 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene.

Molecular Properties

Compound Name4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
PubChem CID157208762
Molecular FormulaC228H132N8O9S2
Molecular Weight3191.74 g/mol
Exact Mass3188.96
IUPAC Name4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
SMILESCOc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4oc3c3cc4c5ccccc5n(-c5ccccc5)c4cc23)c2ccccc2n6-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccnc2)cc2c3cc(-c5cccnc5)c5cc6c(cc5c3oc42)c2ccccc2n6-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2csc3ccccc23)cc2c3cc(-c5csc6ccccc56)c5cc6c(cc5c3oc42)c2ccccc2n6-c2ccccc2)cc1.c1ccc2c(c1)oc1ccc(-c3cc4c5cc(-c6ccc7oc8ccccc8c7c6)c6c(ccc7oc8ccccc8c76)c5oc4c4ccc5oc6ccccc6c5c34)cc12
InChIInChI=1S/C60H34N2OS2.C58H38N2O2.C56H28O5.C54H32N4O/c1-3-15-35(16-4-1)61-53-23-11-7-19-37(53)45-29-47-43(31-55(45)61)41(51-33-64-57-25-13-9-21-39(51)57)27-49-50-28-42(52-34-65-58-26-14-10-22-40(52)58)44-32-56-46(30-48(44)60(50)63-59(47)49)38-20-8-12-24-54(38)62(56)36-17-5-2-6-18-36;1-35-21-23-36(24-22-35)43-29-51-52-30-44(37-25-27-40(61-2)28-26-37)46-34-56-48(42-18-10-12-20-54(42)60(56)39-15-7-4-8-16-39)32-50(46)58(52)62-57(51)49-31-47-41-17-9-11-19-53(41)59(55(47)33-45(43)49)38-13-5-3-6-14-38;1-5-13-43-31(9-1)39-25-29(17-21-47(39)57-43)37-27-41-42-28-38(30-18-22-48-40(26-30)32-10-2-6-14-44(32)58-48)52-36(20-24-50-54(52)34-12-4-8-16-46(34)60-50)56(42)61-55(41)35-19-23-49-53(51(35)37)33-11-3-7-15-45(33)59-49;1-3-15-35(16-4-1)57-49-21-9-7-19-37(49)43-27-45-41(29-51(43)57)39(33-13-11-23-55-31-33)25-47-48-26-40(34-14-12-24-56-32-34)42-30-52-44(28-46(42)54(48)59-53(45)47)38-20-8-10-22-50(38)58(52)36-17-5-2-6-18-36/h1-34H;3-34H,1-2H3;1-28H;1-32H
InChIKeyARQOPRXGNGRYPM-UHFFFAOYSA-N
XLogP64.62
TPSA169.71 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003191.74
LogP ≤ 564.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene with MolForge

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Related Compounds

CID 157225149
CID 157225149
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
8-[[6-([1]Benzothiolo[3,2-c]pyridin-8-yloxymethyl)-2,8-bis[4-[(4-carbazol-9-yl-2-pyridinyl)methyl]-2,6-dimethylphenyl]dibenzofuran-4-yl]methoxy]-[1]benzothiolo[3,2-c]pyridine
CID 58501578
3-(2-Pyridin-3-ylphenyl)-9-[8-[8-(2-pyridin-3-ylphenyl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 58501588
9-[8-[5-(8-Dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
CID 89433865
8-[3-[8-[9-(9-Phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
CID 89850230
4,34-Bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
CID 89958514
4,34-Di(dibenzothiophen-4-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
CID 89958516

Frequently Asked Questions

What is the IUPAC name of 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene?
The IUPAC name of 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene (CID 157208762) is 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene.
What is the SMILES notation for 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene?
The canonical SMILES for 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene is COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cc6c(cc5c4oc3c3cc4c5ccccc5n(-c5ccccc5)c4cc23)c2ccccc2n6-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2cccnc2)cc2c3cc(-c5cccnc5)c5cc6c(cc5c3oc42)c2ccccc2n6-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2csc3ccccc23)cc2c3cc(-c5csc6ccccc56)c5cc6c(cc5c3oc42)c2ccccc2n6-c2ccccc2)cc1.c1ccc2c(c1)oc1ccc(-c3cc4c5cc(-c6ccc7oc8ccccc8c7c6)c6c(ccc7oc8ccccc8c76)c5oc4c4ccc5oc6ccccc6c5c34)cc12.
What is the InChIKey of 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene?
The InChIKey is ARQOPRXGNGRYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2OS2.C58H38N2O2.C56H28O5.C54H32N4O/c1-3-15-35(16-4-1)61-53-23-11-7-19-37(53)45-29-47-43(31-55(45)61)41(51-33-64-57-25-13-9-21-39(51)57)27-49-50-28-42(52-34-65-58-26-14-10-22-40(52)58)44-32-56-46(30-48(44)60(50)63-59(47)49)38-20-8-12-24-54(38)62(56)36-17-5-2-6-18-36;1-35-21-23-36(24-22-35)43-29-51-52-30-44(37-25-27-40(61-2)28-26-37)46-34-56-48(42-18-10-12-20-54(42)60(56)39-15-7-4-8-16-39)32-50(46)58(52)62-57(51)49-31-47-41-17-9-11-19-53(41)59(55(47)33-45(43)49)38-13-5-3-6-14-38;1-5-13-43-31(9-1)39-25-29(17-21-47(39)57-43)37-27-41-42-28-38(30-18-22-48-40(26-30)32-10-2-6-14-44(32)58-48)52-36(20-24-50-54(52)34-12-4-8-16-46(34)60-50)56(42)61-55(41)35-19-23-49-53(51(35)37)33-11-3-7-15-45(33)59-49;1-3-15-35(16-4-1)57-49-21-9-7-19-37(49)43-27-45-41(29-51(43)57)39(33-13-11-23-55-31-33)25-47-48-26-40(34-14-12-24-56-32-34)42-30-52-44(28-46(42)54(48)59-53(45)47)38-20-8-10-22-50(38)58(52)36-17-5-2-6-18-36/h1-34H;3-34H,1-2H3;1-28H;1-32H.
What are the key properties of 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene?
4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene has a molecular weight of 3191.74 g/mol, XLogP of 64.62, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4,34-bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene is sourced from PubChem (CID 157208762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).