C177H121N13 — CID 160663062
N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline (PubChem CID 160663062) has the molecular formula C177H121N13 and a molecular weight of 2430.01 g/mol. Its IUPAC name is N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline.
| Compound Name | N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline |
|---|---|
| PubChem CID | 160663062 |
| Molecular Formula | C177H121N13 |
| Molecular Weight | 2430.01 g/mol |
| Exact Mass | 2427.99 |
| IUPAC Name | N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc6c(ccn6-c6ccccc6)cc4n5-c4ccccc4)cc3)c3ccc(-c4ccccn4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(ccn6-c6ccccc6)cc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2cc(-c3ccc(N(c5ccc(-c6ncncn6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc3)ccc2n4-c2ccccc2)cc1 |
| InChI | InChI=1S/C66H44N6.C56H39N3.C55H38N4/c1-5-15-49(16-6-1)66(50-17-7-2-8-18-50)60-24-14-13-23-56(60)57-35-34-55(41-61(57)66)71(54-32-27-46(28-33-54)65-68-43-67-44-69-65)53-30-25-45(26-31-53)47-29-36-62-58(39-47)59-42-63-48(37-38-70(63)51-19-9-3-10-20-51)40-64(59)72(62)52-21-11-4-12-22-52;1-5-13-40(14-6-1)42-21-28-49(29-22-42)58(50-30-23-43(24-31-50)41-15-7-2-8-16-41)51-32-25-44(26-33-51)45-27-34-54-52(37-45)53-39-55-46(35-36-57(55)47-17-9-3-10-18-47)38-56(53)59(54)48-19-11-4-12-20-48;1-4-12-39(13-5-1)40-19-26-47(27-20-40)58(49-30-23-42(24-31-49)52-18-10-11-34-56-52)48-28-21-41(22-29-48)43-25-32-53-50(36-43)51-38-54-44(33-35-57(54)45-14-6-2-7-15-45)37-55(51)59(53)46-16-8-3-9-17-46/h1-44H;1-39H;1-38H |
| InChIKey | RLXTWKWUYZSBLZ-UHFFFAOYSA-N |
| XLogP | 45.87 |
| TPSA | 90.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 190 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2430.01 |
| LogP ≤ 5 | 45.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |