C175H117N3 — CID 159953736
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine (PubChem CID 159953736) has the molecular formula C175H117N3 and a molecular weight of 2261.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine |
|---|---|
| PubChem CID | 159953736 |
| Molecular Formula | C175H117N3 |
| Molecular Weight | 2261.88 g/mol |
| Exact Mass | 2259.92 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)cc21.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1 |
| InChI | InChI=1S/C66H43N.C56H39N.C53H35N/c1-4-18-44(19-5-1)45-32-35-49(36-33-45)67(50-37-39-56-55-28-12-15-29-58(55)65(62(56)42-50,47-21-6-2-7-22-47)48-23-8-3-9-24-48)51-38-40-57-63(43-51)66(61-41-34-46-20-10-11-25-52(46)64(57)61)59-30-16-13-26-53(59)54-27-14-17-31-60(54)66;1-55(2)48-21-11-8-18-43(48)46-31-29-40(34-52(46)55)57(39-27-24-37(25-28-39)36-14-4-3-5-15-36)41-30-32-47-53(35-41)56(51-33-26-38-16-6-7-17-42(38)54(47)51)49-22-12-9-19-44(49)45-20-10-13-23-50(45)56;1-3-14-36(15-4-1)38-26-29-41(30-27-38)54(42-20-13-19-40(34-42)37-16-5-2-6-17-37)43-31-32-47-51(35-43)53(50-33-28-39-18-7-8-21-44(39)52(47)50)48-24-11-9-22-45(48)46-23-10-12-25-49(46)53/h1-43H;3-35H,1-2H3;1-35H |
| InChIKey | OCLIDYKJVJRLIY-UHFFFAOYSA-N |
| XLogP | 45.30 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 178 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2261.88 |
| LogP ≤ 5 | 45.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |