C454H300N16O6S7 — CID 159834770
N,10-diphenyl-N-[3-[6-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[acridine-9,9'-fluorene]-3'-amine;N,10-diphenyl-N-[6-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]spiro[acridine-9,9'-fluorene]-3-amine;methane;N-phenyl-N-[4-[9-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-[4-[6-(N-phenylanilino)dibenzothiophen-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine;N-phenyl-N-[8-[4-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine;N-phenyl-7-[4-(N-phenylanilino)naphthalen-1-yl]-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine (PubChem CID 159834770) has the molecular formula C454H300N16O6S7 and a molecular weight of 6299.97 g/mol. Its IUPAC name is N,10-diphenyl-N-[3-[6-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[acridine-9,9'-fluorene]-3'-amine;N,10-diphenyl-N-[6-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]spiro[acridine-9,9'-fluorene]-3-amine;methane;N-phenyl-N-[4-[9-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-[4-[6-(N-phenylanilino)dibenzothiophen-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine;N-phenyl-N-[8-[4-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine;N-phenyl-7-[4-(N-phenylanilino)naphthalen-1-yl]-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine.
| Compound Name | N,10-diphenyl-N-[3-[6-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[acridine-9,9'-fluorene]-3'-amine;N,10-diphenyl-N-[6-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]spiro[acridine-9,9'-fluorene]-3-amine;methane;N-phenyl-N-[4-[9-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-[4-[6-(N-phenylanilino)dibenzothiophen-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine;N-phenyl-N-[8-[4-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine;N-phenyl-7-[4-(N-phenylanilino)naphthalen-1-yl]-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine |
|---|---|
| PubChem CID | 159834770 |
| Molecular Formula | C454H300N16O6S7 |
| Molecular Weight | 6299.97 g/mol |
| Exact Mass | 6294.17 |
| IUPAC Name | N,10-diphenyl-N-[3-[6-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[acridine-9,9'-fluorene]-3'-amine;N,10-diphenyl-N-[6-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-yl]spiro[acridine-9,9'-fluorene]-3-amine;methane;N-phenyl-N-[4-[9-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-[4-[6-(N-phenylanilino)dibenzothiophen-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine;N-phenyl-N-[8-[4-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine;N-phenyl-7-[4-(N-phenylanilino)naphthalen-1-yl]-N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine |
| SMILES | C.c1ccc(N(c2ccc(-c3ccc4oc5cccc(N(c6ccccc6)c6ccccc6)c5c4c3)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.c1ccc(N(c2ccc(-c3cccc4c3sc3c(N(c5ccccc5)c5ccccc5)cccc34)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)oc2cc(-c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)ccc23)cc1.c1ccc(N(c2ccc3c(c2)N(c2ccccc2)c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3sc4c(-c5ccc6sc7cccc(N(c8ccccc8)c8ccccc8)c7c6c5)cccc4c3c2)cc1.c1ccc(N(c2ccc3sc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)cc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.c1ccc(N(c2cccc(-c3ccc4oc5c(N(c6ccccc6)c6ccccc6)cccc5c4c3)c2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(-c5ccc(N(c6ccccc6)c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)cc5)ccc4c3c2)cc1 |
| InChI | InChI=1S/C73H47N3S2.C67H45N3O.C65H42N2OS.C65H42N2S2.C61H40N2O2.2C61H40N2OS.CH4/c1-5-21-49(22-6-1)74(54-40-42-64-67(47-54)76(52-27-11-4-12-28-52)65-36-18-17-35-63(65)73(64)61-33-15-13-29-56(61)57-30-14-16-34-62(57)73)53-41-44-68-59(46-53)58-32-19-31-55(72(58)78-68)48-39-43-69-60(45-48)71-66(37-20-38-70(71)77-69)75(50-23-7-2-8-24-50)51-25-9-3-10-26-51;1-5-22-48(23-6-1)68(52-30-19-21-46(43-52)47-39-42-65-57(44-47)55-32-20-38-64(66(55)71-65)69(49-24-7-2-8-25-49)50-26-9-3-10-27-50)53-40-41-59-56(45-53)54-31-13-14-33-58(54)67(59)60-34-15-17-36-62(60)70(51-28-11-4-12-29-51)63-37-18-16-35-61(63)67;1-4-18-44(19-5-1)66(47-33-36-52-51-25-12-13-27-56(51)65(59(52)41-47)57-28-14-16-30-63(57)69-64-31-17-15-29-58(64)65)48-34-37-55-54-35-32-43(40-61(54)68-62(55)42-48)49-38-39-60(53-26-11-10-24-50(49)53)67(45-20-6-2-7-21-45)46-22-8-3-9-23-46;1-4-19-44(20-5-1)66(45-21-6-2-7-22-45)58-38-37-48(49-25-10-11-26-50(49)58)43-35-39-60-52(41-43)53-42-47(36-40-61(53)68-60)67(46-23-8-3-9-24-46)59-32-18-31-57-64(59)51-27-12-13-28-54(51)65(57)55-29-14-16-33-62(55)69-63-34-17-15-30-56(63)65;1-4-17-43(18-5-1)62(47-36-37-49-48-23-10-11-24-51(48)61(54(49)40-47)52-25-12-14-28-57(52)65-58-29-15-13-26-53(58)61)46-34-31-41(32-35-46)42-33-38-56-50(39-42)60-55(27-16-30-59(60)64-56)63(44-19-6-2-7-20-44)45-21-8-3-9-22-45;1-4-18-42(19-5-1)62(46-38-39-53-51(40-46)48-24-10-11-28-52(48)61(53)54-29-12-14-32-57(54)64-58-33-15-13-30-55(58)61)45-36-34-41(35-37-45)47-25-16-26-49-50-27-17-31-56(60(50)65-59(47)49)63(43-20-6-2-7-21-43)44-22-8-3-9-23-44;1-4-17-43(18-5-1)62(44-19-6-2-7-20-44)47-36-38-58-50(40-47)48-37-33-42(39-59(48)65-58)41-31-34-46(35-32-41)63(45-21-8-3-9-22-45)55-28-16-27-54-60(55)49-23-10-11-24-51(49)61(54)52-25-12-14-29-56(52)64-57-30-15-13-26-53(57)61;/h1-47H;1-45H;2*1-42H;3*1-40H;1H4 |
| InChIKey | NNXPEUMGQIGLQY-UHFFFAOYSA-N |
| XLogP | 127.89 |
| TPSA | 118.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 483 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6299.97 |
| LogP ≤ 5 | 127.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |