C298H204N16 — CID 161105172
5-[5-[3,5-bis(dinaphthalen-2-ylamino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;5-[5-[3,5-bis(N-phenylanilino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[3-carbazol-9-yl-5-[4-[5-[3,5-di(pyren-1-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(5-pyren-1-yl-3-pyridinyl)phenyl]carbazole (PubChem CID 161105172) has the molecular formula C298H204N16 and a molecular weight of 4009.02 g/mol. Its IUPAC name is 5-[5-[3,5-bis(dinaphthalen-2-ylamino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;5-[5-[3,5-bis(N-phenylanilino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[3-carbazol-9-yl-5-[4-[5-[3,5-di(pyren-1-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(5-pyren-1-yl-3-pyridinyl)phenyl]carbazole.
| Compound Name | 5-[5-[3,5-bis(dinaphthalen-2-ylamino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;5-[5-[3,5-bis(N-phenylanilino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[3-carbazol-9-yl-5-[4-[5-[3,5-di(pyren-1-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(5-pyren-1-yl-3-pyridinyl)phenyl]carbazole |
|---|---|
| PubChem CID | 161105172 |
| Molecular Formula | C298H204N16 |
| Molecular Weight | 4009.02 g/mol |
| Exact Mass | 4005.65 |
| IUPAC Name | 5-[5-[3,5-bis(dinaphthalen-2-ylamino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;5-[5-[3,5-bis(N-phenylanilino)phenyl]-2,4,6-trimethyl-3-pyridinyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[3-carbazol-9-yl-5-[4-[5-[3,5-di(pyren-1-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(5-pyren-1-yl-3-pyridinyl)phenyl]carbazole |
| SMILES | Cc1nc(C)c(-c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c2)c(C)c1-c1cc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)c1.Cc1nc(C)c(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c(C)c1-c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.c1cc2ccc3ccc(-c4cc(-c5cncc(-c6ccc(-c7cc(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)c7)cc6)c5)cc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)c4ccc(c1)c2c34 |
| InChI | InChI=1S/C100H71N5.C79H47N3.C68H55N5.C51H31N3/c1-66-99(85-60-95(102(87-44-36-69-20-4-12-28-77(69)52-87)88-45-37-70-21-5-13-29-78(70)53-88)64-96(61-85)103(89-46-38-71-22-6-14-30-79(71)54-89)90-47-39-72-23-7-15-31-80(72)55-90)67(2)101-68(3)100(66)86-62-97(104(91-48-40-73-24-8-16-32-81(73)56-91)92-49-41-74-25-9-17-33-82(74)57-92)65-98(63-86)105(93-50-42-75-26-10-18-34-83(75)58-93)94-51-43-76-27-11-19-35-84(76)59-94;1-5-19-72-66(15-1)67-16-2-6-20-73(67)81(72)62-43-57(44-63(45-62)82-74-21-7-3-17-68(74)69-18-4-8-22-75(69)82)48-23-25-49(26-24-48)60-42-61(47-80-46-60)56-39-58(64-35-31-54-29-27-50-11-9-13-52-33-37-70(64)78(54)76(50)52)41-59(40-56)65-36-32-55-30-28-51-12-10-14-53-34-38-71(65)79(55)77(51)53;1-50-67(53-44-63(70(55-28-12-4-13-29-55)56-30-14-5-15-31-56)48-64(45-53)71(57-32-16-6-17-33-57)58-34-18-7-19-35-58)51(2)69-52(3)68(50)54-46-65(72(59-36-20-8-21-37-59)60-38-22-9-23-39-60)49-66(47-54)73(61-40-24-10-25-41-61)62-42-26-11-27-43-62;1-5-16-46-41(12-1)42-13-2-6-17-47(42)53(46)38-27-35(28-39(29-38)54-48-18-7-3-14-43(48)44-15-4-8-19-49(44)54)36-26-37(31-52-30-36)40-24-22-34-21-20-32-10-9-11-33-23-25-45(40)51(34)50(32)33/h4-65H,1-3H3;1-47H;4-49H,1-3H3;1-31H |
| InChIKey | UIYNJHRBLNEHLF-UHFFFAOYSA-N |
| XLogP | 82.58 |
| TPSA | 97.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4009.02 |
| LogP ≤ 5 | 82.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |