C338H212N6O12 — CID 157067138
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-phenanthren-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-naphthalen-2-yldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 157067138) has the molecular formula C338H212N6O12 and a molecular weight of 4549.44 g/mol. Its IUPAC name is N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-phenanthren-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-naphthalen-2-yldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine.
| Compound Name | N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-phenanthren-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-naphthalen-2-yldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine |
|---|---|
| PubChem CID | 157067138 |
| Molecular Formula | C338H212N6O12 |
| Molecular Weight | 4549.44 g/mol |
| Exact Mass | 4545.62 |
| IUPAC Name | N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-phenanthren-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-naphthalen-2-yldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine;N-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3c2oc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)c3oc4ccccc4c23)cc1.c1ccc2c(c1)Oc1cc(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)ccc1C21c2ccccc2-c2ccccc21 |
| InChI | InChI=1S/C67H41NO2.2C59H37NO2.C55H35NO2.2C49H31NO2/c1-3-17-49-43(14-1)16-13-22-51(49)54-37-39-61(65-55-21-7-11-26-62(55)70-66(54)65)68(47-34-32-42(33-35-47)46-31-30-45-29-28-44-15-2-4-18-50(44)56(45)40-46)48-36-38-60-64(41-48)69-63-27-12-10-25-59(63)67(60)57-23-8-5-19-52(57)53-20-6-9-24-58(53)67;1-2-17-41(18-3-1)60(42-33-35-52-56(37-42)61-55-28-13-11-26-51(55)59(52)49-24-9-6-20-46(49)47-21-7-10-25-50(47)59)53-36-34-45(58-57(53)48-22-8-12-27-54(48)62-58)40-31-29-39(30-32-40)44-23-14-16-38-15-4-5-19-43(38)44;1-2-14-38(15-3-1)40-28-30-43(31-29-40)60(53-35-33-45(42-27-26-39-16-4-5-17-41(39)36-42)58-57(53)48-20-8-12-24-54(48)62-58)44-32-34-52-56(37-44)61-55-25-13-11-23-51(55)59(52)49-21-9-6-18-46(49)47-19-7-10-22-50(47)59;1-3-15-36(16-4-1)37-27-29-39(30-28-37)56(49-34-32-41(38-17-5-2-6-18-38)54-53(49)44-21-9-13-25-50(44)58-54)40-31-33-48-52(35-40)57-51-26-14-12-24-47(51)55(48)45-22-10-7-19-42(45)43-20-8-11-23-46(43)55;1-3-15-32(16-4-1)35-28-29-43(47-38-21-9-13-25-44(38)52-48(35)47)50(33-17-5-2-6-18-33)34-27-30-46-42(31-34)49(41-24-12-14-26-45(41)51-46)39-22-10-7-19-36(39)37-20-8-11-23-40(37)49;1-3-15-32(16-4-1)35-29-30-43(47-38-20-8-12-24-44(38)52-48(35)47)50(33-17-5-2-6-18-33)34-27-28-37-36-19-7-9-21-39(36)49(42(37)31-34)40-22-10-13-25-45(40)51-46-26-14-11-23-41(46)49/h1-41H;2*1-37H;1-35H;2*1-31H |
| InChIKey | ABZWMRCNQRRAHG-UHFFFAOYSA-N |
| XLogP | 91.58 |
| TPSA | 153.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 356 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4549.44 |
| LogP ≤ 5 | 91.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |