C259H182N12 — CID 158640038
N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]anthracen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 158640038) has the molecular formula C259H182N12 and a molecular weight of 3462.39 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]anthracen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]anthracen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-N,9,9-triphenylfluoren-2-amine |
|---|---|
| PubChem CID | 158640038 |
| Molecular Formula | C259H182N12 |
| Molecular Weight | 3462.39 g/mol |
| Exact Mass | 3459.46 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]anthracen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-[4-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)phenyl]-N,9,9-triphenylfluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6c(c7ccccc7n6-c6ccccc6)c4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6c(c7ccccc7n6-c6ccccc6)c4n5-c4ccccc4)cc3)c3ccc4cc5ccccc5cc4c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccc6c(c7ccccc7n6-c6ccccc6)c4n5-c4ccccc4)cc3)c3ccc4ccccc4c3)cc21.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1 |
| InChI | InChI=1S/C67H45N3.C66H49N3.C65H45N3.C61H43N3/c1-6-20-48(21-7-1)67(49-22-8-2-9-23-49)60-32-18-16-30-55(60)56-40-39-54(45-61(56)67)68(50-24-10-3-11-25-50)53-37-34-46(35-38-53)47-36-42-63-59(44-47)57-41-43-64-65(66(57)70(63)52-28-14-5-15-29-52)58-31-17-19-33-62(58)69(64)51-26-12-4-13-27-51;1-65(2)56-24-14-11-21-49(56)51-34-32-47(40-58(51)65)67(48-33-35-52-50-22-12-15-25-57(50)66(3,4)59(52)41-48)46-30-27-42(28-31-46)43-29-37-61-55(39-43)53-36-38-62-63(64(53)69(61)45-19-9-6-10-20-45)54-23-13-16-26-60(54)68(62)44-17-7-5-8-18-44;1-65(2)58-23-13-11-21-53(58)54-33-32-52(41-59(54)65)66(51-31-27-45-37-43-15-9-10-16-44(43)38-47(45)39-51)50-29-25-42(26-30-50)46-28-35-61-57(40-46)55-34-36-62-63(64(55)68(61)49-19-7-4-8-20-49)56-22-12-14-24-60(56)67(62)48-17-5-3-6-18-48;1-61(2)54-23-13-11-21-49(54)50-33-32-48(39-55(50)61)62(47-31-27-40-15-9-10-16-42(40)37-47)46-29-25-41(26-30-46)43-28-35-57-53(38-43)51-34-36-58-59(60(51)64(57)45-19-7-4-8-20-45)52-22-12-14-24-56(52)63(58)44-17-5-3-6-18-44/h1-45H;5-41H,1-4H3;3-41H,1-2H3;3-39H,1-2H3 |
| InChIKey | IAGKWTCMPCKKGN-UHFFFAOYSA-N |
| XLogP | 69.12 |
| TPSA | 52.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 271 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3462.39 |
| LogP ≤ 5 | 69.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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