C343H239N13OS2 — CID 160839602
N-[4-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 160839602) has the molecular formula C343H239N13OS2 and a molecular weight of 4622.91 g/mol. Its IUPAC name is N-[4-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-[4-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 160839602 |
| Molecular Formula | C343H239N13OS2 |
| Molecular Weight | 4622.91 g/mol |
| Exact Mass | 4618.85 |
| IUPAC Name | N-[4-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)c4)cc3)c3ccc4ccccc4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc5)c4)cc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)c4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C67H46N2.C66H45N3S.C56H40N2.C54H36N2OS.2C50H36N2/c1-4-17-47(18-5-1)48-31-37-55(38-32-48)68(53-21-6-2-7-22-53)56-39-33-49(34-40-56)51-19-16-20-52(45-51)50-35-41-57(42-36-50)69(54-23-8-3-9-24-54)58-43-44-62-61-27-12-15-30-65(61)67(66(62)46-58)63-28-13-10-25-59(63)60-26-11-14-29-64(60)67;1-4-16-46(17-5-1)47-30-38-55(39-31-47)68(62-27-15-28-63-66(62)59-25-10-12-26-61(59)69(63)53-22-8-3-9-23-53)56-40-34-49(35-41-56)51-19-14-18-50(44-51)48-32-36-54(37-33-48)67(52-20-6-2-7-21-52)57-42-43-65-60(45-57)58-24-11-13-29-64(58)70-65;1-3-12-41(13-4-1)44-22-30-53(31-23-44)58(56-37-29-43-15-8-10-17-50(43)40-56)54-34-26-46(27-35-54)48-19-11-18-47(38-48)45-24-32-52(33-25-45)57(51-20-5-2-6-21-51)55-36-28-42-14-7-9-16-49(42)39-55;1-3-11-41(12-4-1)55(45-31-33-48-47-15-7-9-17-51(47)57-52(48)35-45)43-27-23-39(24-28-43)37-19-21-38(22-20-37)40-25-29-44(30-26-40)56(42-13-5-2-6-14-42)46-32-34-50-49-16-8-10-18-53(49)58-54(50)36-46;1-3-19-41(20-4-1)51(49-27-13-17-37-15-7-9-25-47(37)49)43-33-29-39(30-34-43)45-23-11-12-24-46(45)40-31-35-44(36-32-40)52(42-21-5-2-6-22-42)50-28-14-18-38-16-8-10-26-48(38)50;1-3-17-45(18-4-1)51(49-32-28-37-12-7-9-14-42(37)35-49)47-30-26-40(27-31-47)39-22-24-41(25-23-39)44-16-11-21-48(34-44)52(46-19-5-2-6-20-46)50-33-29-38-13-8-10-15-43(38)36-50/h1-46H;1-45H;1-40H;1-36H;2*1-36H |
| InChIKey | SHVUUORCEQZXJH-UHFFFAOYSA-N |
| XLogP | 97.76 |
| TPSA | 56.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 359 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4622.91 |
| LogP ≤ 5 | 97.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |