C270H211N5O2S — CID 158683884
N-(4-carbazol-9-ylphenyl)-N,9',9'-triphenylspiro[adamantane-2,10'-anthracene]-2'-amine;N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine (PubChem CID 158683884) has the molecular formula C270H211N5O2S and a molecular weight of 3589.76 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N,9',9'-triphenylspiro[adamantane-2,10'-anthracene]-2'-amine;N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-N,9',9'-triphenylspiro[adamantane-2,10'-anthracene]-2'-amine;N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine |
|---|---|
| PubChem CID | 158683884 |
| Molecular Formula | C270H211N5O2S |
| Molecular Weight | 3589.76 g/mol |
| Exact Mass | 3586.63 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-N,9',9'-triphenylspiro[adamantane-2,10'-anthracene]-2'-amine;N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc5c(c4)C4(c6ccccc6C5(c5ccccc5)c5ccccc5)C5CC6CC(C5)CC4C6)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5oc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5C4(c4ccccc4)c4ccccc4)C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3C3(c4cc(N(c5ccc(-c6ccccc6-c6cccc7sc8ccccc8c67)cc5)c5cccc6ccccc56)ccc42)C2CC4CC(C2)CC3C4)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2C32C3CC4CC(C3)CC2C4)cc1 |
| InChI | InChI=1S/2C71H55NO.C69H53NS.C59H48N2/c1-4-14-49(15-5-1)50-24-26-51(27-25-50)52-28-33-59(34-29-52)72(60-35-30-53(31-36-60)54-32-38-63-62-20-10-13-23-68(62)73-69(63)45-54)61-37-39-66-67(46-61)71(57-41-47-40-48(43-57)44-58(71)42-47)65-22-12-11-21-64(65)70(66,55-16-6-2-7-17-55)56-18-8-3-9-19-56;1-4-17-49(18-5-1)50-31-35-56(36-32-50)72(57-37-33-51(34-38-57)59-23-10-11-24-60(59)61-26-16-30-68-69(61)62-25-12-15-29-67(62)73-68)58-39-40-65-66(46-58)71(54-42-47-41-48(44-54)45-55(71)43-47)64-28-14-13-27-63(64)70(65,52-19-6-2-7-20-52)53-21-8-3-9-22-53;1-3-19-49(20-4-1)68(50-21-5-2-6-22-50)60-28-12-13-29-61(60)69(51-40-45-39-46(42-51)43-52(69)41-45)63-44-54(37-38-62(63)68)70(64-30-15-18-47-17-7-8-24-56(47)64)53-35-33-48(34-36-53)55-23-9-10-25-57(55)58-27-16-32-66-67(58)59-26-11-14-31-65(59)71-66;1-4-16-42(17-5-1)58(43-18-6-2-7-19-43)52-24-12-13-25-53(52)59(44-35-40-34-41(37-44)38-45(59)36-40)54-33-32-49(39-55(54)58)60(46-20-8-3-9-21-46)47-28-30-48(31-29-47)61-56-26-14-10-22-50(56)51-23-11-15-27-57(51)61/h1-39,45-48,57-58H,40-44H2;1-40,46-48,54-55H,41-45H2;1-38,44-46,51-52H,39-43H2;1-33,39-41,44-45H,34-38H2 |
| InChIKey | IFMGXRBEDKEHJF-UHFFFAOYSA-N |
| XLogP | 70.13 |
| TPSA | 44.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 278 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3589.76 |
| LogP ≤ 5 | 70.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |