C230H166N4 — CID 160667042
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[3-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline (PubChem CID 160667042) has the molecular formula C230H166N4 and a molecular weight of 2985.89 g/mol. Its IUPAC name is N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[3-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline.
| Compound Name | N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[3-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline |
|---|---|
| PubChem CID | 160667042 |
| Molecular Formula | C230H166N4 |
| Molecular Weight | 2985.89 g/mol |
| Exact Mass | 2983.31 |
| IUPAC Name | N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine;4-[3-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline |
| SMILES | CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4)cc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)c4)cc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc(-c5cccc(N(c6ccccc6)c6ccc7ccccc7c6)c5)c4)cc32)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)c3)cc2)cc1 |
| InChI | InChI=1S/C62H43N.3C56H41N/c1-5-22-48(23-6-1)61(49-24-7-2-8-25-49)56-32-15-17-34-58(56)62(59-35-18-16-33-57(59)61)55-31-14-13-30-53(55)54-41-38-47(43-60(54)62)46-21-19-20-45(42-46)44-36-39-52(40-37-44)63(50-26-9-3-10-27-50)51-28-11-4-12-29-51;1-55(2)50-26-10-12-28-52(50)56(53-29-13-11-27-51(53)55)49-25-9-8-24-47(49)48-33-31-43(37-54(48)56)40-19-14-18-39(34-40)42-20-15-23-45(36-42)57(44-21-4-3-5-22-44)46-32-30-38-16-6-7-17-41(38)35-46;1-55(2)50-23-10-12-25-52(50)56(53-26-13-11-24-51(53)55)49-22-9-8-21-47(49)48-34-30-43(37-54(48)56)41-18-14-17-40(35-41)39-27-31-45(32-28-39)57(44-19-4-3-5-20-44)46-33-29-38-15-6-7-16-42(38)36-46;1-55(2)50-20-10-12-22-52(50)56(53-23-13-11-21-51(53)55)49-19-9-8-18-47(49)48-35-31-43(37-54(48)56)41-26-24-39(25-27-41)40-28-32-45(33-29-40)57(44-16-4-3-5-17-44)46-34-30-38-14-6-7-15-42(38)36-46/h1-43H;3*3-37H,1-2H3 |
| InChIKey | RMLBLFZNYBTBTL-UHFFFAOYSA-N |
| XLogP | 59.49 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 234 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2985.89 |
| LogP ≤ 5 | 59.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |