C311H218N12O3S2 — CID 159745246
9,9-dimethyl-N-phenyl-N-[4-[4-(N-[4-(6-phenyldibenzofuran-4-yl)phenyl]anilino)phenyl]phenyl]fluoren-2-amine;N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]carbazol-2-amine;N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-3-(8-phenyldibenzofuran-2-yl)aniline;N-phenyl-N-[4-[4-(N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine (PubChem CID 159745246) has the molecular formula C311H218N12O3S2 and a molecular weight of 4235.38 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[4-(N-[4-(6-phenyldibenzofuran-4-yl)phenyl]anilino)phenyl]phenyl]fluoren-2-amine;N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]carbazol-2-amine;N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-3-(8-phenyldibenzofuran-2-yl)aniline;N-phenyl-N-[4-[4-(N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine.
| Compound Name | 9,9-dimethyl-N-phenyl-N-[4-[4-(N-[4-(6-phenyldibenzofuran-4-yl)phenyl]anilino)phenyl]phenyl]fluoren-2-amine;N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]carbazol-2-amine;N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-3-(8-phenyldibenzofuran-2-yl)aniline;N-phenyl-N-[4-[4-(N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine |
|---|---|
| PubChem CID | 159745246 |
| Molecular Formula | C311H218N12O3S2 |
| Molecular Weight | 4235.38 g/mol |
| Exact Mass | 4231.67 |
| IUPAC Name | 9,9-dimethyl-N-phenyl-N-[4-[4-(N-[4-(6-phenyldibenzofuran-4-yl)phenyl]anilino)phenyl]phenyl]fluoren-2-amine;N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]naphthalen-1-yl]carbazol-2-amine;N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-3-(8-phenyldibenzofuran-2-yl)aniline;N-phenyl-N-[4-[4-(N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)cc5)cc4)cc3)cc21.c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)c3sc4ccccc4c3c2)cc1.c1ccc(-c2ccc3oc4ccc(-c5cccc(N(c6ccccc6)c6ccc(-c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)c5)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2cc(N(c4ccccc4)c4ccc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)cc4)ccc23)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc67)cc5)cc4)cccc23)cc1 |
| InChI | InChI=1S/C70H47N3S.C63H46N2O.C60H43N3O.C60H42N2O.C58H40N2S/c1-5-19-48(20-6-1)58-30-17-32-64-65-33-18-31-59(70(65)74-69(58)64)50-37-41-55(42-38-50)71(51-21-7-2-8-22-51)54-39-35-49(36-40-54)57-45-46-67(61-28-14-13-27-60(57)61)72(52-23-9-3-10-24-52)56-43-44-63-62-29-15-16-34-66(62)73(68(63)47-56)53-25-11-4-12-26-53;1-63(2)59-27-13-12-22-55(59)56-41-40-52(42-60(56)63)65(48-20-10-5-11-21-48)51-36-30-44(31-37-51)43-28-34-49(35-29-43)64(47-18-8-4-9-19-47)50-38-32-46(33-39-50)54-24-15-26-58-57-25-14-23-53(61(57)66-62(54)58)45-16-6-3-7-17-45;1-7-20-45(21-8-1)56-32-19-33-58-57-39-38-53(43-59(57)64-60(56)58)61(47-22-9-2-10-23-47)52-36-34-44(35-37-52)46-40-54(62(48-24-11-3-12-25-48)49-26-13-4-14-27-49)42-55(41-46)63(50-28-15-5-16-29-50)51-30-17-6-18-31-51;1-5-14-43(15-6-1)49-32-38-59-57(41-49)58-42-50(33-39-60(58)63-59)48-16-13-23-56(40-48)62(53-21-11-4-12-22-53)55-36-30-47(31-37-55)45-26-24-44(25-27-45)46-28-34-54(35-29-46)61(51-17-7-2-8-18-51)52-19-9-3-10-20-52;1-4-15-41(16-5-1)46-39-54(58-55(40-46)53-24-12-13-26-57(53)61-58)45-31-37-50(38-32-45)59(47-19-6-2-7-20-47)49-33-27-42(28-34-49)43-29-35-51(36-30-43)60(48-21-8-3-9-22-48)56-25-14-18-44-17-10-11-23-52(44)56/h1-47H;3-42H,1-2H3;1-43H;1-42H;1-40H |
| InChIKey | NCYPVJSLBBZUPQ-UHFFFAOYSA-N |
| XLogP | 89.75 |
| TPSA | 79.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 328 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4235.38 |
| LogP ≤ 5 | 89.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |