C216H135N3O6 — CID 159817922
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (PubChem CID 159817922) has the molecular formula C216H135N3O6 and a molecular weight of 2868.47 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.
| Compound Name | N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine |
|---|---|
| PubChem CID | 159817922 |
| Molecular Formula | C216H135N3O6 |
| Molecular Weight | 2868.47 g/mol |
| Exact Mass | 2866.04 |
| IUPAC Name | N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-4-amine;N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine |
| SMILES | c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3cc5ccccc5cc3C43c4ccccc4Oc4ccccc43)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3cccc4c3-c3cc5ccccc5cc3C43c4ccccc4Oc4ccccc43)cc2)cc1 |
| InChI | InChI=1S/3C72H45NO2/c1-2-19-46(20-3-1)47-37-39-48(40-38-47)52-23-7-13-31-64(52)73(51-41-42-54-53-24-6-8-25-56(53)71(63(54)45-51)57-26-9-14-33-66(57)74-67-34-15-10-27-58(67)71)65-32-18-30-61-70(65)55-43-49-21-4-5-22-50(49)44-62(55)72(61)59-28-11-16-35-68(59)75-69-36-17-12-29-60(69)72;1-2-18-46(19-3-1)47-34-36-49(37-35-47)52-21-7-13-29-65(52)73(50-39-41-55-54-23-6-8-24-57(54)71(63(55)44-50)58-25-9-14-30-66(58)74-67-31-15-10-26-59(67)71)51-40-42-56-64(45-51)72(62-43-38-48-20-4-5-22-53(48)70(56)62)60-27-11-16-32-68(60)75-69-33-17-12-28-61(69)72;1-2-18-46(19-3-1)47-34-36-48(37-35-47)53-22-7-13-29-66(53)73(52-38-40-55-54-23-6-8-24-58(54)71(65(55)45-52)60-25-9-14-30-67(60)74-68-31-15-10-26-61(68)71)51-39-41-59-57(44-51)56-42-49-20-4-5-21-50(49)43-64(56)72(59)62-27-11-16-32-69(62)75-70-33-17-12-28-63(70)72/h3*1-45H |
| InChIKey | NLVYCWJELJFVGV-UHFFFAOYSA-N |
| XLogP | 55.74 |
| TPSA | 65.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 225 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2868.47 |
| LogP ≤ 5 | 55.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |