C248H168N8O4 — CID 164955253
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine (PubChem CID 164955253) has the molecular formula C248H168N8O4 and a molecular weight of 3324.12 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine |
|---|---|
| PubChem CID | 164955253 |
| Molecular Formula | C248H168N8O4 |
| Molecular Weight | 3324.12 g/mol |
| Exact Mass | 3321.32 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine |
| SMILES | CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6cccc7cccc5c67)cc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4cccc5cccc3c45)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21 |
| InChI | InChI=1S/4C62H42N2O/c1-61(2)48-25-9-7-23-47(48)60-52(61)28-16-31-55(60)63(41-33-35-45-44-22-8-12-30-54(44)64(56(45)37-41)40-19-4-3-5-20-40)42-34-36-51-58(38-42)65-57-32-13-11-27-50(57)62(51)49-26-10-6-21-43(49)46-24-14-17-39-18-15-29-53(62)59(39)46;1-61(2)50-24-9-6-21-45(50)49-36-41(31-34-51(49)61)63(42-30-33-47-46-22-8-12-28-56(46)64(57(47)37-42)40-18-4-3-5-19-40)43-32-35-54-59(38-43)65-58-29-13-11-26-53(58)62(54)52-25-10-7-20-44(52)48-23-14-16-39-17-15-27-55(62)60(39)48;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)63(42-31-34-48-47-22-8-12-28-56(47)64(57(48)37-42)40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49;1-61(2)50-24-9-6-20-44(50)46-33-30-41(36-55(46)61)64-56-28-12-8-22-47(56)48-34-31-42(37-57(48)64)63(40-18-4-3-5-19-40)43-32-35-53-59(38-43)65-58-29-13-11-26-52(58)62(53)51-25-10-7-21-45(51)49-23-14-16-39-17-15-27-54(62)60(39)49/h4*3-38H,1-2H3 |
| InChIKey | BBUAHEHQWCTIJL-UHFFFAOYSA-N |
| XLogP | 64.73 |
| TPSA | 69.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 260 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3324.12 |
| LogP ≤ 5 | 64.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |