C171H122N6 — CID 161259967
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline (PubChem CID 161259967) has the molecular formula C171H122N6 and a molecular weight of 2260.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline.
| Compound Name | 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline |
|---|---|
| PubChem CID | 161259967 |
| Molecular Formula | C171H122N6 |
| Molecular Weight | 2260.90 g/mol |
| Exact Mass | 2258.97 |
| IUPAC Name | 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)cc3)c3ccccc3-c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C64H46N2.C58H42N2.C49H34N2/c1-63(2)54-26-12-9-24-50(54)52-40-38-48(42-58(52)63)65(60-30-16-11-23-49(60)44-19-5-3-6-20-44)47-36-33-43(34-37-47)45-35-39-53-51-25-10-13-27-55(51)64(59(53)41-45)56-28-14-17-31-61(56)66(46-21-7-4-8-22-46)62-32-18-15-29-57(62)64;1-57(2)49-23-11-9-21-45(49)47-36-34-44(38-53(47)57)59(41-17-5-3-6-18-41)43-32-29-39(30-33-43)40-31-35-48-46-22-10-12-24-50(46)58(54(48)37-40)51-25-13-15-27-55(51)60(42-19-7-4-8-20-42)56-28-16-14-26-52(56)58;1-4-16-37(17-5-1)50(38-18-6-2-7-19-38)40-31-28-35(29-32-40)36-30-33-42-41-22-10-11-23-43(41)49(46(42)34-36)44-24-12-14-26-47(44)51(39-20-8-3-9-21-39)48-27-15-13-25-45(48)49/h3-42H,1-2H3;3-38H,1-2H3;1-34H |
| InChIKey | VCKQVXLZZUNCHE-UHFFFAOYSA-N |
| XLogP | 45.19 |
| TPSA | 19.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 177 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2260.90 |
| LogP ≤ 5 | 45.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |