C314H225N7OS — CID 157353788
N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 157353788) has the molecular formula C314H225N7OS and a molecular weight of 4144.37 g/mol. Its IUPAC name is N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline.
| Compound Name | N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline |
|---|---|
| PubChem CID | 157353788 |
| Molecular Formula | C314H225N7OS |
| Molecular Weight | 4144.37 g/mol |
| Exact Mass | 4140.75 |
| IUPAC Name | N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-dibenzothiophen-4-yl-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-dibenzofuran-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-4-(1-phenylindol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N,N,4-tris[4-(4-phenylphenyl)phenyl]aniline |
| SMILES | C1=CCCC(C2=CC=C(C3=CC=C(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5sc5ccccc56)c(-c5ccccc5)c4)CC3)CC2)=C1.c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5ccn6-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)c(-c5ccccc5)c4)cc3)cc2)cc1 |
| InChI | InChI=1S/C66H46N2.C66H47N.C62H44N2.C60H41NO.C60H47NS/c1-5-15-47(16-6-1)49-25-29-51(30-26-49)53-33-38-58(39-34-53)67(59-40-35-54(36-41-59)52-31-27-50(28-32-52)48-17-7-2-8-18-48)60-42-43-61(63(46-60)55-19-9-3-10-20-55)56-37-44-66-64(45-56)62-23-13-14-24-65(62)68(66)57-21-11-4-12-22-57;1-5-13-48(14-6-1)51-21-27-54(28-22-51)57-33-35-61(36-34-57)65-46-45-64(47-66(65)60-19-11-4-12-20-60)67(62-41-37-58(38-42-62)55-29-23-52(24-30-55)49-15-7-2-8-16-49)63-43-39-59(40-44-63)56-31-25-53(26-32-56)50-17-9-3-10-18-50;1-5-14-45(15-6-1)47-24-28-49(29-25-47)51-32-36-55(37-33-51)64(56-38-34-52(35-39-56)50-30-26-48(27-31-50)46-16-7-2-8-17-46)57-40-41-59(61(44-57)53-18-9-3-10-19-53)58-22-13-23-62-60(58)42-43-63(62)54-20-11-4-12-21-54;2*1-4-13-42(14-5-1)44-23-27-46(28-24-44)48-31-35-51(36-32-48)61(52-37-33-49(34-38-52)47-29-25-45(26-30-47)43-15-6-2-7-16-43)53-39-40-54(58(41-53)50-17-8-3-9-18-50)56-20-12-21-57-55-19-10-11-22-59(55)62-60(56)57/h1-46H;1-47H;1-44H;1-41H;1-6,8-15,17-25,27-29,31-33,35-37,39-41H,7,16,26,30,34,38H2 |
| InChIKey | BHVLJPONHSXHJD-UHFFFAOYSA-N |
| XLogP | 88.30 |
| TPSA | 39.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 323 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4144.37 |
| LogP ≤ 5 | 88.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |