C172H113N3O5 — CID 158227613
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine (PubChem CID 158227613) has the molecular formula C172H113N3O5 and a molecular weight of 2301.81 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine.
| Compound Name | N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine |
|---|---|
| PubChem CID | 158227613 |
| Molecular Formula | C172H113N3O5 |
| Molecular Weight | 2301.81 g/mol |
| Exact Mass | 2299.87 |
| IUPAC Name | N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine;N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[11H-indeno[1,2-b]chromene-10,9'-fluorene]-3'-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5c4oc4ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5c4oc4ccccc54)cc3)c2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43C4=C(Oc5ccccc53)c3ccccc3C4)c2)cc1 |
| InChI | InChI=1S/C58H39NO.2C57H37NO2/c1-3-16-39(17-4-1)42-21-15-22-45(36-42)59(44-32-30-41(31-33-44)48-24-10-9-23-47(48)40-18-5-2-6-19-40)46-34-35-53-51(38-46)50-26-11-12-27-52(50)58(53)54-28-13-14-29-56(54)60-57-49-25-8-7-20-43(49)37-55(57)58;1-3-15-38(16-4-1)41-19-13-20-42(35-41)40-29-31-44(32-30-40)58(45-22-14-21-43(36-45)39-17-5-2-6-18-39)46-33-34-51-49(37-46)47-23-7-9-25-50(47)57(51)52-26-10-12-28-54(52)59-55-48-24-8-11-27-53(48)60-56(55)57;1-3-14-38(15-4-1)40-26-28-41(29-27-40)42-30-32-44(33-31-42)58(45-19-13-18-43(36-45)39-16-5-2-6-17-39)46-34-35-51-49(37-46)47-20-7-9-22-50(47)57(51)52-23-10-12-25-54(52)59-55-48-21-8-11-24-53(48)60-56(55)57/h1-36,38H,37H2;2*1-37H |
| InChIKey | GDZJWSOESBBICV-UHFFFAOYSA-N |
| XLogP | 45.58 |
| TPSA | 63.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 180 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2301.81 |
| LogP ≤ 5 | 45.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |