C216H135N3O6 — CID 157433303
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-5-amine (PubChem CID 157433303) has the molecular formula C216H135N3O6 and a molecular weight of 2868.47 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-5-amine.
| Compound Name | N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-5-amine |
|---|---|
| PubChem CID | 157433303 |
| Molecular Formula | C216H135N3O6 |
| Molecular Weight | 2868.47 g/mol |
| Exact Mass | 2866.04 |
| IUPAC Name | N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[a]fluorene-11,9'-xanthene]-5-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6c(ccc5c4)-c4ccccc4C64c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cc5c(c6ccccc46)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c6c(ccc45)-c4ccccc4C64c5ccccc5Oc5ccccc54)cc3)cc2)cc1 |
| InChI | InChI=1S/3C72H45NO2/c1-2-18-46(19-3-1)47-36-38-48(39-37-47)49-40-42-50(43-41-49)73(64-31-17-29-62-69(64)55-21-5-7-24-57(55)71(62)58-25-8-12-32-65(58)74-66-33-13-9-26-59(66)71)63-30-16-22-53-52(63)44-45-54-51-20-4-6-23-56(51)72(70(53)54)60-27-10-14-34-67(60)75-68-35-15-11-28-61(68)72;1-2-17-46(18-3-1)47-33-35-48(36-34-47)49-37-40-51(41-38-49)73(64-28-16-27-63-69(64)56-20-5-7-22-58(56)71(63)59-23-8-12-29-65(59)74-66-30-13-9-24-60(66)71)52-42-44-53-50(45-52)39-43-55-54-19-4-6-21-57(54)72(70(53)55)61-25-10-14-31-67(61)75-68-32-15-11-26-62(68)72;1-2-19-46(20-3-1)47-37-39-48(40-38-47)49-41-43-50(44-42-49)73(63-32-18-31-62-69(63)54-24-7-9-26-57(54)71(62)58-27-10-14-33-65(58)74-66-34-15-11-28-59(66)71)64-45-55-51-21-6-8-25-56(51)72(70(55)53-23-5-4-22-52(53)64)60-29-12-16-35-67(60)75-68-36-17-13-30-61(68)72/h3*1-45H |
| InChIKey | BQULOYOHCXBOJA-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 |