C218H146F12N12 — CID 159533360
9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine (PubChem CID 159533360) has the molecular formula C218H146F12N12 and a molecular weight of 3161.63 g/mol. Its IUPAC name is 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine.
| Compound Name | 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine |
|---|---|
| PubChem CID | 159533360 |
| Molecular Formula | C218H146F12N12 |
| Molecular Weight | 3161.63 g/mol |
| Exact Mass | 3159.16 |
| IUPAC Name | 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine |
| SMILES | Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6ccc7ccccc7c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4ccc5ccccc5c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4cccc(-c5ccccc5)c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5c(F)c(F)c(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)ccc32)cc1 |
| InChI | InChI=1S/2C74H50F4N4.C70H46F4N4/c1-47-27-33-55(34-28-47)81-65-25-11-9-23-61(65)63-45-59(39-41-67(63)81)79(57-21-13-19-52(43-57)49-15-5-3-6-16-49)54-37-31-51(32-38-54)69-70(75)72(77)74(73(78)71(69)76)80(58-22-14-20-53(44-58)50-17-7-4-8-18-50)60-40-42-68-64(46-60)62-24-10-12-26-66(62)82(68)56-35-29-48(2)30-36-56;1-47-21-31-57(32-22-47)81-65-19-11-9-17-61(65)63-45-59(41-43-67(63)81)79(54-35-25-51(26-36-54)49-13-5-3-6-14-49)55-39-29-53(30-40-55)69-70(75)72(77)74(73(78)71(69)76)80(56-37-27-52(28-38-56)50-15-7-4-8-16-50)60-42-44-68-64(46-60)62-18-10-12-20-66(62)82(68)58-33-23-48(2)24-34-58;1-43-19-27-51(28-20-43)77-61-17-9-7-15-57(61)59-41-55(35-37-63(59)77)75(53-33-23-45-11-3-5-13-48(45)39-53)50-31-25-47(26-32-50)65-66(71)68(73)70(69(74)67(65)72)76(54-34-24-46-12-4-6-14-49(46)40-54)56-36-38-64-60(42-56)58-16-8-10-18-62(58)78(64)52-29-21-44(2)22-30-52/h2*3-46H,1-2H3;3-42H,1-2H3 |
| InChIKey | MDGYVHIKUMUWFJ-UHFFFAOYSA-N |
| XLogP | 61.96 |
| TPSA | 49.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 242 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3161.63 |
| LogP ≤ 5 | 61.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'} |
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