C178H118N8 — CID 158955630
4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline (PubChem CID 158955630) has the molecular formula C178H118N8 and a molecular weight of 2368.96 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline.
| Compound Name | 4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline |
|---|---|
| PubChem CID | 158955630 |
| Molecular Formula | C178H118N8 |
| Molecular Weight | 2368.96 g/mol |
| Exact Mass | 2366.95 |
| IUPAC Name | 4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)c6ccc(-c7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc7)cc6)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7)cc6)c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc67)cc5)cc4)ccc32)cc1 |
| InChI | InChI=1S/C90H60N4.C88H58N4/c1-4-16-73(17-5-1)92-86-26-14-11-23-80(86)83-58-70(47-56-88(83)92)67-34-28-61(29-35-67)64-40-49-76(50-41-64)91(77-51-42-65(43-52-77)62-30-36-68(37-31-62)71-48-57-89-84(59-71)81-24-12-15-27-87(81)93(89)74-18-6-2-7-19-74)78-53-44-66(45-54-78)63-32-38-69(39-33-63)72-46-55-82-79-22-10-13-25-85(79)94(90(82)60-72)75-20-8-3-9-21-75;1-4-18-68(19-5-1)90-83-30-16-13-27-77(83)80-56-65(45-53-86(80)90)63-36-32-59(33-37-63)61-40-47-71(48-41-61)89(85-55-52-73(74-24-10-11-25-75(74)85)67-44-51-79-76-26-12-15-29-82(76)92(88(79)58-67)70-22-8-3-9-23-70)72-49-42-62(43-50-72)60-34-38-64(39-35-60)66-46-54-87-81(57-66)78-28-14-17-31-84(78)91(87)69-20-6-2-7-21-69/h1-60H;1-58H |
| InChIKey | JLYWPXNPPXEPKS-UHFFFAOYSA-N |
| XLogP | 48.39 |
| TPSA | 36.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 186 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2368.96 |
| LogP ≤ 5 | 48.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |