4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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
C202H124N16OS7 — CID 157065891
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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
SMILESCOc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cnccc5c4sc3c3ccncc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cnccc7c6sc5c5ccncc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cnccc6c5sc4c4ccncc34)cc2)cc1.c1ccc2c(-c3cc4c5cc(-c6csc7ccccc67)c6cnccc6c5sc4c4ccncc34)csc2c1.c1cncc(-c2cc3c4cc(-c5cccnc5)c5cnccc5c4sc3c3ccncc23)c1
InChIInChI=1S/C54H32N4S.C54H36N4S.C34H18N2S3.C32H22N2OS.C28H16N4S/c1-3-11-35(12-4-1)57-49-17-9-7-15-37(49)43-27-33(19-21-51(43)57)41-29-45-46-30-42(48-32-56-26-24-40(48)54(46)59-53(45)39-23-25-55-31-47(39)41)34-20-22-52-44(28-34)38-16-8-10-18-50(38)58(52)36-13-5-2-6-14-36;1-5-13-39(14-6-1)57(40-15-7-2-8-16-40)43-25-21-37(22-26-43)47-33-49-50-34-48(52-36-56-32-30-46(52)54(50)59-53(49)45-29-31-55-35-51(45)47)38-23-27-44(28-24-38)58(41-17-9-3-10-18-41)42-19-11-4-12-20-42;1-3-7-31-19(5-1)29(17-37-31)23-13-25-26-14-24(30-18-38-32-8-4-2-6-20(30)32)28-16-36-12-10-22(28)34(26)39-33(25)21-9-11-35-15-27(21)23;1-19-3-5-20(6-4-19)25-15-27-28-16-26(21-7-9-22(35-2)10-8-21)30-18-34-14-12-24(30)32(28)36-31(27)23-11-13-33-17-29(23)25;1-3-17(13-29-7-1)21-11-23-24-12-22(18-4-2-8-30-14-18)26-16-32-10-6-20(26)28(24)33-27(23)19-5-9-31-15-25(19)21/h1-32H;1-36H;1-18H;3-18H,1-2H3;1-16H
InChIKeyABWGHYXIVRCLIG-UHFFFAOYSA-N
MW3015.79 g/mol
LogP57.09
Rot. Bonds19
About 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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
4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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 (PubChem CID 157065891) has the molecular formula C202H124N16OS7 and a molecular weight of 3015.79 g/mol. Its IUPAC name is 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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.
Molecular Properties
| Compound Name | 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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 |
|---|---|
| PubChem CID | 157065891 |
| Molecular Formula | C202H124N16OS7 |
| Molecular Weight | 3015.79 g/mol |
| Exact Mass | 3012.82 |
| IUPAC Name | 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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 |
| SMILES | COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cnccc5c4sc3c3ccncc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cnccc7c6sc5c5ccncc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cnccc6c5sc4c4ccncc34)cc2)cc1.c1ccc2c(-c3cc4c5cc(-c6csc7ccccc67)c6cnccc6c5sc4c4ccncc34)csc2c1.c1cncc(-c2cc3c4cc(-c5cccnc5)c5cnccc5c4sc3c3ccncc23)c1 |
| InChI | InChI=1S/C54H32N4S.C54H36N4S.C34H18N2S3.C32H22N2OS.C28H16N4S/c1-3-11-35(12-4-1)57-49-17-9-7-15-37(49)43-27-33(19-21-51(43)57)41-29-45-46-30-42(48-32-56-26-24-40(48)54(46)59-53(45)39-23-25-55-31-47(39)41)34-20-22-52-44(28-34)38-16-8-10-18-50(38)58(52)36-13-5-2-6-14-36;1-5-13-39(14-6-1)57(40-15-7-2-8-16-40)43-25-21-37(22-26-43)47-33-49-50-34-48(52-36-56-32-30-46(52)54(50)59-53(49)45-29-31-55-35-51(45)47)38-23-27-44(28-24-38)58(41-17-9-3-10-18-41)42-19-11-4-12-20-42;1-3-7-31-19(5-1)29(17-37-31)23-13-25-26-14-24(30-18-38-32-8-4-2-6-20(30)32)28-16-36-12-10-22(28)34(26)39-33(25)21-9-11-35-15-27(21)23;1-19-3-5-20(6-4-19)25-15-27-28-16-26(21-7-9-22(35-2)10-8-21)30-18-34-14-12-24(30)32(28)36-31(27)23-11-13-33-17-29(23)25;1-3-17(13-29-7-1)21-11-23-24-12-22(18-4-2-8-30-14-18)26-16-32-10-6-20(26)28(24)33-27(23)19-5-9-31-15-25(19)21/h1-32H;1-36H;1-18H;3-18H,1-2H3;1-16H |
| InChIKey | ABWGHYXIVRCLIG-UHFFFAOYSA-N |
| XLogP | 57.09 |
| TPSA | 180.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 226 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3015.79 |
| LogP ≤ 5 | 57.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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?
The IUPAC name of 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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 157065891) is 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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.
What is the SMILES notation for 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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?
The canonical SMILES for 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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 is COc1ccc(-c2cc3c4cc(-c5ccc(C)cc5)c5cnccc5c4sc3c3ccncc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7cnccc7c6sc5c5ccncc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cnccc6c5sc4c4ccncc34)cc2)cc1.c1ccc2c(-c3cc4c5cc(-c6csc7ccccc67)c6cnccc6c5sc4c4ccncc34)csc2c1.c1cncc(-c2cc3c4cc(-c5cccnc5)c5cnccc5c4sc3c3ccncc23)c1.
What is the InChIKey of 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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?
The InChIKey is ABWGHYXIVRCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4S.C54H36N4S.C34H18N2S3.C32H22N2OS.C28H16N4S/c1-3-11-35(12-4-1)57-49-17-9-7-15-37(49)43-27-33(19-21-51(43)57)41-29-45-46-30-42(48-32-56-26-24-40(48)54(46)59-53(45)39-23-25-55-31-47(39)41)34-20-22-52-44(28-34)38-16-8-10-18-50(38)58(52)36-13-5-2-6-14-36;1-5-13-39(14-6-1)57(40-15-7-2-8-16-40)43-25-21-37(22-26-43)47-33-49-50-34-48(52-36-56-32-30-46(52)54(50)59-53(49)45-29-31-55-35-51(45)47)38-23-27-44(28-24-38)58(41-17-9-3-10-18-41)42-19-11-4-12-20-42;1-3-7-31-19(5-1)29(17-37-31)23-13-25-26-14-24(30-18-38-32-8-4-2-6-20(30)32)28-16-36-12-10-22(28)34(26)39-33(25)21-9-11-35-15-27(21)23;1-19-3-5-20(6-4-19)25-15-27-28-16-26(21-7-9-22(35-2)10-8-21)30-18-34-14-12-24(30)32(28)36-31(27)23-11-13-33-17-29(23)25;1-3-17(13-29-7-1)21-11-23-24-12-22(18-4-2-8-30-14-18)26-16-32-10-6-20(26)28(24)33-27(23)19-5-9-31-15-25(19)21/h1-32H;1-36H;1-18H;3-18H,1-2H3;1-16H.
What are the key properties of 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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?
4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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 has a molecular weight of 3015.79 g/mol, XLogP of 57.09, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4,20-bis(1-benzothiophen-3-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;4,20-bis(9-phenylcarbazol-3-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;N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-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-decaen-4-yl]aniline;4,20-dipyridin-3-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;4-(4-methoxyphenyl)-20-(4-methylphenyl)-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 is sourced from PubChem (CID 157065891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157065891 — identifiers, structure, computed properties (public domain)
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