C371H282N16O2 — CID 161118318
9,9-bis[3,5-bis(N-phenylanilino)phenyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;3-[2,7-dimethoxy-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;3-[2,7-dimethyl-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;methane;2-N,2-N,7-N,7-N-tetraphenyl-9,9-bis[3-phenyl-5-(N-phenylanilino)phenyl]fluorene-2,7-diamine;N,N,3-triphenyl-5-[9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]aniline (PubChem CID 161118318) has the molecular formula C371H282N16O2 and a molecular weight of 4996.45 g/mol. Its IUPAC name is 9,9-bis[3,5-bis(N-phenylanilino)phenyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;3-[2,7-dimethoxy-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;3-[2,7-dimethyl-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;methane;2-N,2-N,7-N,7-N-tetraphenyl-9,9-bis[3-phenyl-5-(N-phenylanilino)phenyl]fluorene-2,7-diamine;N,N,3-triphenyl-5-[9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]aniline.
| Compound Name | 9,9-bis[3,5-bis(N-phenylanilino)phenyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;3-[2,7-dimethoxy-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;3-[2,7-dimethyl-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;methane;2-N,2-N,7-N,7-N-tetraphenyl-9,9-bis[3-phenyl-5-(N-phenylanilino)phenyl]fluorene-2,7-diamine;N,N,3-triphenyl-5-[9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]aniline |
|---|---|
| PubChem CID | 161118318 |
| Molecular Formula | C371H282N16O2 |
| Molecular Weight | 4996.45 g/mol |
| Exact Mass | 4992.25 |
| IUPAC Name | 9,9-bis[3,5-bis(N-phenylanilino)phenyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;3-[2,7-dimethoxy-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;3-[2,7-dimethyl-9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N,5-triphenylaniline;methane;2-N,2-N,7-N,7-N-tetraphenyl-9,9-bis[3-phenyl-5-(N-phenylanilino)phenyl]fluorene-2,7-diamine;N,N,3-triphenyl-5-[9-[3-phenyl-5-(N-phenylanilino)phenyl]fluoren-9-yl]aniline |
| SMILES | C.C.COc1ccc2c(c1)C(c1cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c1)(c1cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c1)c1cc(OC)ccc1-2.Cc1ccc2c(c1)C(c1cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c1)(c1cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c1)c1cc(C)ccc1-2.c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(C3(c4cc(-c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)cc1.c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(C3(c4cc(-c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)cc1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(C3(c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)cc1 |
| InChI | InChI=1S/C97H72N6.C85H62N4.C63H48N2O2.C63H48N2.C61H44N2.2CH4/c1-13-37-75(38-14-1)98(76-39-15-2-16-40-76)87-61-63-93-94-64-62-88(99(77-41-17-3-18-42-77)78-43-19-4-20-44-78)72-96(94)97(95(93)71-87,73-65-89(100(79-45-21-5-22-46-79)80-47-23-6-24-48-80)69-90(66-73)101(81-49-25-7-26-50-81)82-51-27-8-28-52-82)74-67-91(102(83-53-29-9-30-54-83)84-55-31-10-32-56-84)70-92(68-74)103(85-57-33-11-34-58-85)86-59-35-12-36-60-86;1-11-31-63(32-12-1)65-55-67(59-79(57-65)88(73-43-23-7-24-44-73)74-45-25-8-26-46-74)85(68-56-66(64-33-13-2-14-34-64)58-80(60-68)89(75-47-27-9-28-48-75)76-49-29-10-30-50-76)83-61-77(86(69-35-15-3-16-36-69)70-37-17-4-18-38-70)51-53-81(83)82-54-52-78(62-84(82)85)87(71-39-19-5-20-40-71)72-41-21-6-22-42-72;1-66-57-33-35-59-60-36-34-58(67-2)44-62(60)63(61(59)43-57,49-37-47(45-21-9-3-10-22-45)39-55(41-49)64(51-25-13-5-14-26-51)52-27-15-6-16-28-52)50-38-48(46-23-11-4-12-24-46)40-56(42-50)65(53-29-17-7-18-30-53)54-31-19-8-20-32-54;1-45-33-35-59-60-36-34-46(2)38-62(60)63(61(59)37-45,51-39-49(47-21-9-3-10-22-47)41-57(43-51)64(53-25-13-5-14-26-53)54-27-15-6-16-28-54)52-40-50(48-23-11-4-12-24-48)42-58(44-52)65(55-29-17-7-18-30-55)56-31-19-8-20-32-56;1-7-23-45(24-8-1)47-39-49(43-55(41-47)62(51-27-11-3-12-28-51)52-29-13-4-14-30-52)61(59-37-21-19-35-57(59)58-36-20-22-38-60(58)61)50-40-48(46-25-9-2-10-26-46)42-56(44-50)63(53-31-15-5-16-32-53)54-33-17-6-18-34-54;;/h1-72H;1-62H;3-44H,1-2H3;3-44H,1-2H3;1-44H;2*1H4 |
| InChIKey | UKPQOZHTRKOSST-UHFFFAOYSA-N |
| XLogP | 101.01 |
| TPSA | 70.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 68 |
| Heavy Atoms | 389 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4996.45 |
| LogP ≤ 5 | 101.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |