C250H162N4 — CID 158107623
9,10-di(phenanthren-9-yl)anthracene;N,N-diphenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine;9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-phenyl-2-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 158107623) has the molecular formula C250H162N4 and a molecular weight of 3222.07 g/mol. Its IUPAC name is 9,10-di(phenanthren-9-yl)anthracene;N,N-diphenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine;9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-phenyl-2-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene.
| Compound Name | 9,10-di(phenanthren-9-yl)anthracene;N,N-diphenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine;9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-phenyl-2-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
|---|---|
| PubChem CID | 158107623 |
| Molecular Formula | C250H162N4 |
| Molecular Weight | 3222.07 g/mol |
| Exact Mass | 3219.28 |
| IUPAC Name | 9,10-di(phenanthren-9-yl)anthracene;N,N-diphenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine;9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-phenyl-2-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccccc45)cc32)cc1.c1ccc(N(c2ccccc2)c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc(N(c7ccccc7)c7ccccc7)ccc6c5)c5ccccc45)ccc3c2)cc1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C58H40N2.C52H34.C50H32N2.C48H30.C42H26/c1-5-17-47(18-6-1)59(48-19-7-2-8-20-48)51-35-33-41-37-45(31-29-43(41)39-51)57-53-25-13-15-27-55(53)58(56-28-16-14-26-54(56)57)46-32-30-44-40-52(36-34-42(44)38-46)60(49-21-9-3-10-22-49)50-23-11-4-12-24-50;1-3-15-35(16-4-1)37-27-31-39(32-28-37)49-41-19-7-11-23-45(41)51(46-24-12-8-20-42(46)49)52-47-25-13-9-21-43(47)50(44-22-10-14-26-48(44)52)40-33-29-38(30-34-40)36-17-5-2-6-18-36;1-3-15-35(16-4-1)51-45-25-13-11-19-37(45)39-29-27-33(31-47(39)51)49-41-21-7-9-23-43(41)50(44-24-10-8-22-42(44)49)34-28-30-40-38-20-12-14-26-46(38)52(48(40)32-34)36-17-5-2-6-18-36;1-3-15-33-29-35(27-25-31(33)13-1)45-37-17-5-9-21-41(37)47(42-22-10-6-18-38(42)45)48-43-23-11-7-19-39(43)46(40-20-8-12-24-44(40)48)36-28-26-32-14-2-4-16-34(32)30-36;1-3-15-29-27(13-1)25-39(33-19-7-5-17-31(29)33)41-35-21-9-11-23-37(35)42(38-24-12-10-22-36(38)41)40-26-28-14-2-4-16-30(28)32-18-6-8-20-34(32)40/h1-40H;1-34H;1-32H;1-30H;1-26H |
| InChIKey | FQAOEPAHTIDKKZ-UHFFFAOYSA-N |
| XLogP | 70.28 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 254 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3222.07 |
| LogP ≤ 5 | 70.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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