C262H182N8 — CID 161372252
2-N,7-N-bis(4-methylphenyl)-9-phenyl-9-(4-phenylphenyl)-2-N,7-N-di(pyren-4-yl)fluorene-2,7-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N,9-trinaphthalen-1-yl-9-phenylfluorene-2,7-diamine;9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine;2-N,7-N,9-trinaphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine (PubChem CID 161372252) has the molecular formula C262H182N8 and a molecular weight of 3442.39 g/mol. Its IUPAC name is 2-N,7-N-bis(4-methylphenyl)-9-phenyl-9-(4-phenylphenyl)-2-N,7-N-di(pyren-4-yl)fluorene-2,7-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N,9-trinaphthalen-1-yl-9-phenylfluorene-2,7-diamine;9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine;2-N,7-N,9-trinaphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine.
| Compound Name | 2-N,7-N-bis(4-methylphenyl)-9-phenyl-9-(4-phenylphenyl)-2-N,7-N-di(pyren-4-yl)fluorene-2,7-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N,9-trinaphthalen-1-yl-9-phenylfluorene-2,7-diamine;9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine;2-N,7-N,9-trinaphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine |
|---|---|
| PubChem CID | 161372252 |
| Molecular Formula | C262H182N8 |
| Molecular Weight | 3442.39 g/mol |
| Exact Mass | 3439.45 |
| IUPAC Name | 2-N,7-N-bis(4-methylphenyl)-9-phenyl-9-(4-phenylphenyl)-2-N,7-N-di(pyren-4-yl)fluorene-2,7-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N,9-trinaphthalen-1-yl-9-phenylfluorene-2,7-diamine;9-naphthalen-1-yl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine;2-N,7-N,9-trinaphthalen-1-yl-2-N,7-N,9-triphenylfluorene-2,7-diamine |
| SMILES | Cc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccc(-c4ccccc4)cc2)c2cc(N(c4ccc(C)cc4)c4cc5cccc6ccc7cccc4c7c65)ccc2-3)c2cc3cccc4ccc5cccc2c5c43)cc1.Cc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2cccc4ccccc24)c2cc(N(c4ccc(C)cc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2cccc4ccccc24)c2cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc2-3)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2cccc4ccccc24)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C77H52N2.C63H46N2.2C61H42N2/c1-49-25-37-61(38-26-49)78(71-45-57-19-9-15-53-29-31-55-17-11-23-67(71)75(55)73(53)57)63-41-43-65-66-44-42-64(48-70(66)77(69(65)47-63,59-21-7-4-8-22-59)60-35-33-52(34-36-60)51-13-5-3-6-14-51)79(62-39-27-50(2)28-40-62)72-46-58-20-10-16-54-30-32-56-18-12-24-68(72)76(56)74(54)58;1-43-29-33-49(34-30-43)64(61-27-13-19-46-16-7-10-24-54(46)61)51-37-39-56-57-40-38-52(65(50-35-31-44(2)32-36-50)62-28-14-20-47-17-8-11-25-55(47)62)42-60(57)63(59(56)41-51,48-21-4-3-5-22-48)58-26-12-18-45-15-6-9-23-53(45)58;1-4-25-46(26-5-1)61(56-34-16-22-43-19-10-13-31-51(43)56)57-41-49(62(47-27-6-2-7-28-47)59-35-17-23-44-20-11-14-32-52(44)59)37-39-54(57)55-40-38-50(42-58(55)61)63(48-29-8-3-9-30-48)60-36-18-24-45-21-12-15-33-53(45)60;1-4-23-48(24-5-1)61(58-30-16-22-45-19-14-15-29-55(45)58)59-41-53(62(49-25-6-2-7-26-49)51-33-31-43-17-10-12-20-46(43)39-51)35-37-56(59)57-38-36-54(42-60(57)61)63(50-27-8-3-9-28-50)52-34-32-44-18-11-13-21-47(44)40-52/h3-48H,1-2H3;3-42H,1-2H3;2*1-42H |
| InChIKey | VQPPJVDSIMLJTD-UHFFFAOYSA-N |
| XLogP | 71.03 |
| TPSA | 25.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 270 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3442.39 |
| LogP ≤ 5 | 71.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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