C328H184O7S8 — CID 162050752
2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 162050752) has the molecular formula C328H184O7S8 and a molecular weight of 4493.61 g/mol. Its IUPAC name is 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.
| Compound Name | 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
|---|---|
| PubChem CID | 162050752 |
| Molecular Formula | C328H184O7S8 |
| Molecular Weight | 4493.61 g/mol |
| Exact Mass | 4489.18 |
| IUPAC Name | 2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran |
| SMILES | c1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6oc7c(-c8c9ccccc9c(-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9)c9ccccc89)cccc7c6c5)c5ccccc45)ccc3oc21.c1ccc2c(c1)sc1c(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9c8sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)cccc12.c1ccc2c(c1)sc1cc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9c(c8)sc8ccccc89)c8ccccc78)cccc6c5c4)c4ccccc34)ccc12.c1ccc2c(c1)sc1ccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8ccc9sc%10ccccc%10c9c8)c8ccccc78)cccc6c5c4)c4ccccc34)cc12.c1ccc2c(c1)sc1cccc(-c3c4ccccc4c(-c4ccc5oc6c(-c7c8ccccc8c(-c8cccc9sc%10ccccc%10c89)c8ccccc78)cccc6c5c4)c4ccccc34)c12 |
| InChI | InChI=1S/C72H40O3.4C64H36OS2/c1-3-16-46-41(14-1)28-33-57-61-39-44(31-36-64(61)73-70(46)57)67-50-20-7-5-18-48(50)66(49-19-6-8-21-51(49)67)43-30-35-63-60(38-43)56-26-13-27-59(72(56)75-63)69-54-24-11-9-22-52(54)68(53-23-10-12-25-55(53)69)45-32-37-65-62(40-45)58-34-29-42-15-2-4-17-47(42)71(58)74-65;1-3-20-42-40(18-1)58(41-19-2-4-21-43(41)60(42)52-30-14-27-49-38-16-9-11-32-56(38)66-63(49)52)37-34-35-55-54(36-37)48-26-13-29-51(62(48)65-55)59-44-22-5-7-24-46(44)61(47-25-8-6-23-45(47)59)53-31-15-28-50-39-17-10-12-33-57(39)67-64(50)53;1-3-18-40-38(16-1)58(39-17-2-4-19-41(39)59(40)49-27-14-32-56-62(49)47-24-9-11-30-54(47)66-56)37-34-35-53-52(36-37)46-26-13-29-51(64(46)65-53)61-44-22-7-5-20-42(44)60(43-21-6-8-23-45(43)61)50-28-15-33-57-63(50)48-25-10-12-31-55(48)67-57;1-3-18-46-44(16-1)60(45-17-2-4-19-47(45)61(46)38-28-31-42-40-14-9-11-26-56(40)66-58(42)35-38)37-30-33-55-54(34-37)52-24-13-25-53(64(52)65-55)63-50-22-7-5-20-48(50)62(49-21-6-8-23-51(49)63)39-29-32-43-41-15-10-12-27-57(41)67-59(43)36-39;1-3-18-44-42(16-1)60(43-17-2-4-19-45(43)61(44)38-29-32-58-53(35-38)40-14-9-11-26-56(40)66-58)37-28-31-55-52(34-37)50-24-13-25-51(64(50)65-55)63-48-22-7-5-20-46(48)62(47-21-6-8-23-49(47)63)39-30-33-59-54(36-39)41-15-10-12-27-57(41)67-59/h1-40H;4*1-36H |
| InChIKey | YYNBTAGZTNXSCG-UHFFFAOYSA-N |
| XLogP | 99.38 |
| TPSA | 91.98 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 343 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4493.61 |
| LogP ≤ 5 | 99.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |