4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine

C212H134N6O6S2 — CID 162206770

IUPAC4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine
SMILESCOc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5ccccc5c4oc3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6oc5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccccc6c5oc4c4ccccc34)cc2)cc1.c1ccc2c(-c3cc4c5cc(-c6csc7ccccc67)c6ccccc6c5oc4c4ccccc34)csc2c1.c1cncc(-c2cc3c4cc(-c5cccnc5)c5ccccc5c4oc3c3ccccc23)c1
InChIInChI=1S/C56H34N2O.C56H38N2O.C36H20OS2.C34H24O2.C30H18N2O/c1-3-15-37(16-4-1)57-51-25-13-11-21-41(51)47-31-35(27-29-53(47)57)45-33-49-50-34-46(40-20-8-10-24-44(40)56(50)59-55(49)43-23-9-7-19-39(43)45)36-28-30-54-48(32-36)42-22-12-14-26-52(42)58(54)38-17-5-2-6-18-38;1-5-17-41(18-6-1)57(42-19-7-2-8-20-42)45-33-29-39(30-34-45)51-37-53-54-38-52(48-26-14-16-28-50(48)56(54)59-55(53)49-27-15-13-25-47(49)51)40-31-35-46(36-32-40)58(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-13-25-21(9-1)27(31-19-38-33-15-7-5-11-23(31)33)17-29-30-18-28(32-20-39-34-16-8-6-12-24(32)34)22-10-2-4-14-26(22)36(30)37-35(25)29;1-21-11-13-22(14-12-21)29-19-31-32-20-30(23-15-17-24(35-2)18-16-23)26-8-4-6-10-28(26)34(32)36-33(31)27-9-5-3-7-25(27)29;1-3-11-23-21(9-1)25(19-7-5-13-31-17-19)15-27-28-16-26(20-8-6-14-32-18-20)22-10-2-4-12-24(22)30(28)33-29(23)27/h1-34H;1-38H;1-20H;3-20H,1-2H3;1-18H
InChIKeyZSHIHZNGPJMZOO-UHFFFAOYSA-N
MW2925.57 g/mol
LogP60.80
Rot. Bonds19

About 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine

4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine (PubChem CID 162206770) has the molecular formula C212H134N6O6S2 and a molecular weight of 2925.57 g/mol. Its IUPAC name is 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine.

Molecular Properties

Compound Name4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine
PubChem CID162206770
Molecular FormulaC212H134N6O6S2
Molecular Weight2925.57 g/mol
Exact Mass2922.98
IUPAC Name4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine
SMILESCOc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5ccccc5c4oc3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6oc5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccccc6c5oc4c4ccccc34)cc2)cc1.c1ccc2c(-c3cc4c5cc(-c6csc7ccccc67)c6ccccc6c5oc4c4ccccc34)csc2c1.c1cncc(-c2cc3c4cc(-c5cccnc5)c5ccccc5c4oc3c3ccccc23)c1
InChIInChI=1S/C56H34N2O.C56H38N2O.C36H20OS2.C34H24O2.C30H18N2O/c1-3-15-37(16-4-1)57-51-25-13-11-21-41(51)47-31-35(27-29-53(47)57)45-33-49-50-34-46(40-20-8-10-24-44(40)56(50)59-55(49)43-23-9-7-19-39(43)45)36-28-30-54-48(32-36)42-22-12-14-26-52(42)58(54)38-17-5-2-6-18-38;1-5-17-41(18-6-1)57(42-19-7-2-8-20-42)45-33-29-39(30-34-45)51-37-53-54-38-52(48-26-14-16-28-50(48)56(54)59-55(53)49-27-15-13-25-47(49)51)40-31-35-46(36-32-40)58(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-13-25-21(9-1)27(31-19-38-33-15-7-5-11-23(31)33)17-29-30-18-28(32-20-39-34-16-8-6-12-24(32)34)22-10-2-4-14-26(22)36(30)37-35(25)29;1-21-11-13-22(14-12-21)29-19-31-32-20-30(23-15-17-24(35-2)18-16-23)26-8-4-6-10-28(26)34(32)36-33(31)27-9-5-3-7-25(27)29;1-3-11-23-21(9-1)25(19-7-5-13-31-17-19)15-27-28-16-26(20-8-6-14-32-18-20)22-10-2-4-12-24(22)30(28)33-29(23)27/h1-34H;1-38H;1-20H;3-20H,1-2H3;1-18H
InChIKeyZSHIHZNGPJMZOO-UHFFFAOYSA-N
XLogP60.80
TPSA117.05 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002925.57
LogP ≤ 560.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine with MolForge

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Related Compounds

CID 154600612
CID 154600612
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
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
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9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
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3,7-Bis[bis(4-fluorophenyl)phosphoryl]dibenzofuran;2,7-bis[bis(4-fluorophenyl)phosphoryl]-9-phenylcarbazole;5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzothiophene
CID 159199834
CID 159961606
CID 159961606
CID 160035174
CID 160035174
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;tetrakis(iridium)
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2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
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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
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Frequently Asked Questions

What is the IUPAC name of 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine?
The IUPAC name of 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine (CID 162206770) is 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine.
What is the SMILES notation for 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine?
The canonical SMILES for 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine is COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5ccccc5c4oc3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7ccccc7c6oc5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6ccccc6c5oc4c4ccccc34)cc2)cc1.c1ccc2c(-c3cc4c5cc(-c6csc7ccccc67)c6ccccc6c5oc4c4ccccc34)csc2c1.c1cncc(-c2cc3c4cc(-c5cccnc5)c5ccccc5c4oc3c3ccccc23)c1.
What is the InChIKey of 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine?
The InChIKey is ZSHIHZNGPJMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O.C56H38N2O.C36H20OS2.C34H24O2.C30H18N2O/c1-3-15-37(16-4-1)57-51-25-13-11-21-41(51)47-31-35(27-29-53(47)57)45-33-49-50-34-46(40-20-8-10-24-44(40)56(50)59-55(49)43-23-9-7-19-39(43)45)36-28-30-54-48(32-36)42-22-12-14-26-52(42)58(54)38-17-5-2-6-18-38;1-5-17-41(18-6-1)57(42-19-7-2-8-20-42)45-33-29-39(30-34-45)51-37-53-54-38-52(48-26-14-16-28-50(48)56(54)59-55(53)49-27-15-13-25-47(49)51)40-31-35-46(36-32-40)58(43-21-9-3-10-22-43)44-23-11-4-12-24-44;1-3-13-25-21(9-1)27(31-19-38-33-15-7-5-11-23(31)33)17-29-30-18-28(32-20-39-34-16-8-6-12-24(32)34)22-10-2-4-14-26(22)36(30)37-35(25)29;1-21-11-13-22(14-12-21)29-19-31-32-20-30(23-15-17-24(35-2)18-16-23)26-8-4-6-10-28(26)34(32)36-33(31)27-9-5-3-7-25(27)29;1-3-11-23-21(9-1)25(19-7-5-13-31-17-19)15-27-28-16-26(20-8-6-14-32-18-20)22-10-2-4-12-24(22)30(28)33-29(23)27/h1-34H;1-38H;1-20H;3-20H,1-2H3;1-18H.
What are the key properties of 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine?
4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine has a molecular weight of 2925.57 g/mol, XLogP of 60.80, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,20-bis(1-benzothiophen-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]aniline;4-(4-methoxyphenyl)-20-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-3-[20-(9-phenylcarbazol-3-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]carbazole;3-(20-pyridin-3-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl)pyridine is sourced from PubChem (CID 162206770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).