C500H390N6O8 — CID 158706304
[2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[3,5-bis(3,5-diphenylphenyl)phenyl]-(3-phenylphenyl)methanone;[9,9-bis[4-(N-phenylanilino)phenyl]fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-[7'-(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dioctylfluoren-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone;[3-[4-[12,12-dioctyl-6-[4-[3-(3-phenylbenzoyl)phenyl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]phenyl]-(3-phenylphenyl)methanone (PubChem CID 158706304) has the molecular formula C500H390N6O8 and a molecular weight of 6610.65 g/mol. Its IUPAC name is [2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[3,5-bis(3,5-diphenylphenyl)phenyl]-(3-phenylphenyl)methanone;[9,9-bis[4-(N-phenylanilino)phenyl]fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-[7'-(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dioctylfluoren-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone;[3-[4-[12,12-dioctyl-6-[4-[3-(3-phenylbenzoyl)phenyl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]phenyl]-(3-phenylphenyl)methanone.
| Compound Name | [2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[3,5-bis(3,5-diphenylphenyl)phenyl]-(3-phenylphenyl)methanone;[9,9-bis[4-(N-phenylanilino)phenyl]fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-[7'-(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dioctylfluoren-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone;[3-[4-[12,12-dioctyl-6-[4-[3-(3-phenylbenzoyl)phenyl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]phenyl]-(3-phenylphenyl)methanone |
|---|---|
| PubChem CID | 158706304 |
| Molecular Formula | C500H390N6O8 |
| Molecular Weight | 6610.65 g/mol |
| Exact Mass | 6605.03 |
| IUPAC Name | [2',7'-bis(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[3,5-bis(3,5-diphenylphenyl)phenyl]-(3-phenylphenyl)methanone;[9,9-bis[4-(N-phenylanilino)phenyl]fluoren-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-[7'-(2,5-dimethylphenyl)-9,9'-spirobi[fluorene]-2'-yl]methanone;[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dioctylfluoren-2-yl)methanone;(9,9-dioctylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)methanone;[3-[4-[12,12-dioctyl-6-[4-[3-(3-phenylbenzoyl)phenyl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]phenyl]-(3-phenylphenyl)methanone |
| SMILES | CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc1)c1ccc(-c2cccc(C(=O)c3cccc(-c4ccccc4)c3)c2)cc1.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.Cc1ccc(C)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(C(=O)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc42)c2cc(-c4cc(C)ccc4C)ccc2-3)c1.Cc1ccc(C)c(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C(=O)c4ccc5c(c4)C4(c6ccccc6-5)c5cc(-n6c7ccccc7c7ccccc76)ccc5-c5ccc(-n6c7ccccc7c7ccccc76)cc54)ccc2-3)c1.O=C(c1ccc2c(c1)C(c1ccc(N(c3ccccc3)c3ccccc3)cc1)(c1ccc(N(c3ccccc3)c3ccccc3)cc1)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.O=C(c1cccc(-c2ccccc2)c1)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1 |
| InChI | InChI=1S/C86H78O2.C83H52N2O.C79H70N2O.C75H50N2O.C67H46O.C55H38O.C55H56O/c1-3-5-7-9-11-23-53-85(54-24-12-10-8-6-4-2)79-43-21-19-41-75(79)77-60-82-78(59-81(77)85)76-42-20-22-44-80(76)86(82,73-49-45-63(46-50-73)67-35-27-39-71(57-67)83(87)69-37-25-33-65(55-69)61-29-15-13-16-30-61)74-51-47-64(48-52-74)68-36-28-40-72(58-68)84(88)70-38-26-34-66(56-70)62-31-17-14-18-32-62;1-49-31-32-50(2)68(43-49)51-33-38-60-61-40-35-52(45-73(61)82(72(60)44-51)69-24-10-3-17-56(69)57-18-4-11-25-70(57)82)81(86)53-34-39-59-58-19-5-12-26-71(58)83(74(59)46-53)75-47-54(84-77-27-13-6-20-64(77)65-21-7-14-28-78(65)84)36-41-62(75)63-42-37-55(48-76(63)83)85-79-29-15-8-22-66(79)67-23-9-16-30-80(67)85;1-3-5-7-9-11-25-47-78(48-26-12-10-8-6-4-2)67-33-19-13-27-57(67)59-43-39-53(49-69(59)78)77(82)54-40-44-60-58-28-14-20-34-68(58)79(70(60)50-54)71-51-55(80-73-35-21-15-29-63(73)64-30-16-22-36-74(64)80)41-45-61(71)62-46-42-56(52-72(62)79)81-75-37-23-17-31-65(75)66-32-18-24-38-76(66)81;78-73(52-38-48-66-64-32-16-20-36-70(64)75(72(66)50-52)68-34-18-14-29-61(68)62-30-15-19-35-69(62)75)51-37-47-65-63-31-13-17-33-67(63)74(71(65)49-51,53-39-43-59(44-40-53)76(55-21-5-1-6-22-55)56-23-7-2-8-24-56)54-41-45-60(46-42-54)77(57-25-9-3-10-26-57)58-27-11-4-12-28-58;1-39-21-23-41(3)55(33-39)43-25-29-53-54-30-26-44(56-34-40(2)22-24-42(56)4)36-62(54)67(61(53)35-43)60-20-12-8-16-50(60)52-32-28-46(38-64(52)67)65(68)45-27-31-51-49-15-7-11-19-59(49)66(63(51)37-45)57-17-9-5-13-47(57)48-14-6-10-18-58(48)66;56-55(45-28-16-27-44(29-45)39-17-6-1-7-18-39)54-37-52(50-32-46(40-19-8-2-9-20-40)30-47(33-50)41-21-10-3-11-22-41)36-53(38-54)51-34-48(42-23-12-4-13-24-42)31-49(35-51)43-25-14-5-15-26-43;1-3-5-7-9-11-21-35-54(36-22-12-10-8-6-4-2)47-27-17-13-23-41(47)45-33-31-39(37-51(45)54)53(56)40-32-34-46-44-26-16-20-30-50(44)55(52(46)38-40)48-28-18-14-24-42(48)43-25-15-19-29-49(43)55/h13-22,25-52,55-60H,3-12,23-24,53-54H2,1-2H3;3-48H,1-2H3;13-24,27-46,49-52H,3-12,25-26,47-48H2,1-2H3;1-50H;5-38H,1-4H3;1-38H;13-20,23-34,37-38H,3-12,21-22,35-36H2,1-2H3 |
| InChIKey | IIDRNGUVICONON-UHFFFAOYSA-N |
| XLogP | 128.60 |
| TPSA | 162.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 86 |
| Heavy Atoms | 514 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6610.65 |
| LogP ≤ 5 | 128.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |