C286H202N8O — CID 158854741
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline (PubChem CID 158854741) has the molecular formula C286H202N8O and a molecular weight of 3766.82 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline.
| Compound Name | 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline |
|---|---|
| PubChem CID | 158854741 |
| Molecular Formula | C286H202N8O |
| Molecular Weight | 3766.82 g/mol |
| Exact Mass | 3763.60 |
| IUPAC Name | 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline |
| SMILES | CC1(C)c2cc(-c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c45)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2-c2ccc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccccc5)c34)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c56)o4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5ccc5c(-c7ccccc7)c(-c7ccccc7)n(-c7ccccc7)c56)cc4)cc3)c2)cc1 |
| InChI | InChI=1S/2C75H54N2.C72H50N2.C64H44N2O/c1-75(2)70-49-58(55-35-43-63(44-36-55)76(61-39-31-53(32-40-61)51-19-8-3-9-20-51)62-41-33-54(34-42-62)52-21-10-4-11-22-52)37-45-66(70)67-46-38-59(50-71(67)75)64-29-18-30-68-65(64)47-48-69-72(56-23-12-5-13-24-56)73(57-25-14-6-15-26-57)77(74(68)69)60-27-16-7-17-28-60;1-75(2)70-49-59(39-45-66(70)67-46-44-63(50-71(67)75)76(61-40-35-53(36-41-61)51-19-8-3-9-20-51)62-42-37-54(38-43-62)52-21-10-4-11-22-52)55-31-33-56(34-32-55)64-29-18-30-68-65(64)47-48-69-72(57-23-12-5-13-24-57)73(58-25-14-6-15-26-58)77(74(68)69)60-27-16-7-17-28-60;1-6-19-51(20-7-1)58-27-16-29-60(49-58)53-35-41-63(42-36-53)73(64-43-37-54(38-44-64)61-30-17-28-59(50-61)52-21-8-2-9-22-52)65-45-39-55(40-46-65)66-33-18-34-68-67(66)47-48-69-70(56-23-10-3-11-24-56)71(57-25-12-4-13-26-57)74(72(68)69)62-31-14-5-15-32-62;1-6-17-45(18-7-1)47-29-35-53(36-30-47)65(54-37-31-48(32-38-54)46-19-8-2-9-20-46)55-39-33-49(34-40-55)60-43-44-61(67-60)57-27-16-28-58-56(57)41-42-59-62(50-21-10-3-11-22-50)63(51-23-12-4-13-24-51)66(64(58)59)52-25-14-5-15-26-52/h2*3-50H,1-2H3;1-50H;1-44H |
| InChIKey | IZXBWDHZGPZOKH-UHFFFAOYSA-N |
| XLogP | 78.89 |
| TPSA | 45.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 295 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3766.82 |
| LogP ≤ 5 | 78.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |