C311H206N6 — CID 161313670
2',7'-bis(6-naphthalen-2-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylpyren-1-yl)spiro[cyclohexane-1,9'-fluorene];9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole;3-[9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)fluoren-2-yl]-9-naphthalen-2-ylcarbazole;3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9-phenylcarbazole (PubChem CID 161313670) has the molecular formula C311H206N6 and a molecular weight of 4027.11 g/mol. Its IUPAC name is 2',7'-bis(6-naphthalen-2-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylpyren-1-yl)spiro[cyclohexane-1,9'-fluorene];9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole;3-[9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)fluoren-2-yl]-9-naphthalen-2-ylcarbazole;3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9-phenylcarbazole.
| Compound Name | 2',7'-bis(6-naphthalen-2-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylpyren-1-yl)spiro[cyclohexane-1,9'-fluorene];9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole;3-[9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)fluoren-2-yl]-9-naphthalen-2-ylcarbazole;3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 161313670 |
| Molecular Formula | C311H206N6 |
| Molecular Weight | 4027.11 g/mol |
| Exact Mass | 4023.63 |
| IUPAC Name | 2',7'-bis(6-naphthalen-2-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylpyren-1-yl)spiro[cyclohexane-1,9'-fluorene];9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole;3-[9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)fluoren-2-yl]-9-naphthalen-2-ylcarbazole;3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9-phenylcarbazole |
| SMILES | CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.c1cc2ccc3ccc(-c4ccc5ccc6c(-c7ccc8c(c7)C7(CCCCC7)c7cc(-c9ccc%10ccc%11c(-c%12ccc%13ccc%14cccc%15ccc%12c%13c%14%15)ccc%12ccc9c%10c%12%11)ccc7-8)ccc7ccc4c5c76)c4ccc(c1)c2c34.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.c1ccc2cc(-c3ccc4cc(-c5ccc6c(c5)C5(CCCCC5)c5cc(-c7ccc8cc(-c9ccc%10ccccc%10c9)ccc8c7)ccc5-6)ccc4c3)ccc2c1 |
| InChI | InChI=1S/C82H50.C61H38N2.C59H40N2.C58H42.C51H36N2/c1-2-42-82(43-3-1)72-44-56(58-28-14-52-24-40-70-62(32-18-54-22-36-66(58)78(52)80(54)70)60-30-16-50-12-10-46-6-4-8-48-20-38-68(60)76(50)74(46)48)26-34-64(72)65-35-27-57(45-73(65)82)59-29-15-53-25-41-71-63(33-19-55-23-37-67(59)79(53)81(55)71)61-31-17-51-13-11-47-7-5-9-49-21-39-69(61)77(51)75(47)49;1-7-19-53-45(13-1)46-14-2-8-20-54(46)61(53)55-37-41(39-25-31-43(32-26-39)62-57-21-9-3-15-49(57)50-16-4-10-22-58(50)62)29-35-47(55)48-36-30-42(38-56(48)61)40-27-33-44(34-28-40)63-59-23-11-5-17-51(59)52-18-6-12-24-60(52)63;1-59(2)53-35-43(41-23-29-57-51(33-41)49-15-7-9-17-55(49)60(57)45-25-19-37-11-3-5-13-39(37)31-45)21-27-47(53)48-28-22-44(36-54(48)59)42-24-30-58-52(34-42)50-16-8-10-18-56(50)61(58)46-26-20-38-12-4-6-14-40(38)32-46;1-6-28-58(29-7-1)56-36-52(50-22-20-46-32-44(16-18-48(46)34-50)42-14-12-38-8-2-4-10-40(38)30-42)24-26-54(56)55-27-25-53(37-57(55)58)51-23-21-47-33-45(17-19-49(47)35-51)43-15-13-39-9-3-5-11-41(39)31-43;1-51(2)45-31-35(33-23-27-49-43(29-33)41-17-9-11-19-47(41)52(49)37-13-5-3-6-14-37)21-25-39(45)40-26-22-36(32-46(40)51)34-24-28-50-44(30-34)42-18-10-12-20-48(42)53(50)38-15-7-4-8-16-38/h4-41,44-45H,1-3,42-43H2;1-38H;3-36H,1-2H3;2-5,8-27,30-37H,1,6-7,28-29H2;3-32H,1-2H3 |
| InChIKey | VJFKBFUGFUNGQL-UHFFFAOYSA-N |
| XLogP | 84.28 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 317 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4027.11 |
| LogP ≤ 5 | 84.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |