C264H181N5O5S2 — CID 163456143
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-phenyldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;2-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 163456143) has the molecular formula C264H181N5O5S2 and a molecular weight of 3567.52 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-phenyldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;2-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.
| Compound Name | N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-phenyldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;2-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine |
|---|---|
| PubChem CID | 163456143 |
| Molecular Formula | C264H181N5O5S2 |
| Molecular Weight | 3567.52 g/mol |
| Exact Mass | 3564.35 |
| IUPAC Name | N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-phenyldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;2-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(oc6ccccc65)c4-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(oc5ccccc54)c3-c3ccccc3)cc21.c1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4)ccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)ccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccc5c(oc6ccccc65)c4-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C57H39NOS.2C54H37NO.C51H35NOS.C48H33NO/c1-57(2)50-17-9-6-14-44(50)45-30-29-42(35-51(45)57)58(40-25-20-36(21-26-40)39-24-33-54-49(34-39)47-16-8-11-19-53(47)60-54)41-27-22-37(23-28-41)43-31-32-48-46-15-7-10-18-52(46)59-56(48)55(43)38-12-4-3-5-13-38;1-4-14-38(15-5-1)40-24-26-44(27-25-40)53-48(36-37-50-49-21-11-13-23-52(49)56-54(50)53)43-30-34-46(35-31-43)55(45-32-28-41(29-33-45)39-16-6-2-7-17-39)51-22-12-10-20-47(51)42-18-8-3-9-19-42;1-4-14-38(15-5-1)40-24-26-42(27-25-40)43-32-34-46(35-33-43)55(50-22-12-10-20-47(50)44-18-8-3-9-19-44)51-37-36-49-48-21-11-13-23-52(48)56-54(49)53(51)45-30-28-41(29-31-45)39-16-6-2-7-17-39;1-51(2)43-17-9-6-14-37(43)38-26-25-36(31-44(38)51)52(35-23-20-32(21-24-35)34-22-29-48-42(30-34)40-16-8-11-19-47(40)54-48)45-28-27-41-39-15-7-10-18-46(39)53-50(41)49(45)33-12-4-3-5-13-33;1-4-14-34(15-5-1)36-24-26-39(27-25-36)47-45(33-32-43-42-21-11-13-23-46(42)50-48(43)47)49(40-30-28-37(29-31-40)35-16-6-2-7-17-35)44-22-12-10-20-41(44)38-18-8-3-9-19-38/h3-35H,1-2H3;2*1-37H;3-31H,1-2H3;1-33H |
| InChIKey | BKQMMZVEKWRGKZ-UHFFFAOYSA-N |
| XLogP | 76.30 |
| TPSA | 81.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3567.52 |
| LogP ≤ 5 | 76.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |