C274H180N8 — CID 157264956
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-2-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-amine (PubChem CID 157264956) has the molecular formula C274H180N8 and a molecular weight of 3584.51 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-2-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-2-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-amine |
|---|---|
| PubChem CID | 157264956 |
| Molecular Formula | C274H180N8 |
| Molecular Weight | 3584.51 g/mol |
| Exact Mass | 3581.43 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(2-phenylphenyl)anthracen-2-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-phenylphenyl)anthracen-1-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-amine |
| SMILES | c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4c(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3c(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc23)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3c2)cc1 |
| InChI | InChI=1S/C88H54N2.3C62H42N2/c1-2-22-57(23-3-1)89(58-44-46-59(47-45-58)90-83-40-20-12-30-69(83)70-31-13-21-41-84(70)90)60-48-51-73-74(54-60)86(56-43-50-68-66-29-11-19-39-80(66)88(82(68)53-56)77-36-16-8-26-63(77)64-27-9-17-37-78(64)88)72-33-5-4-32-71(72)85(73)55-42-49-67-65-28-10-18-38-79(65)87(81(67)52-55)75-34-14-6-24-61(75)62-25-7-15-35-76(62)87;1-4-21-43(22-5-1)48-27-10-12-31-52(48)60-54-33-14-15-34-55(54)61(53-32-13-11-28-49(53)44-23-6-2-7-24-44)62-56(60)35-20-38-59(62)63(45-25-8-3-9-26-45)46-39-41-47(42-40-46)64-57-36-18-16-29-50(57)51-30-17-19-37-58(51)64;1-4-20-43(21-5-1)49-26-10-12-30-53(49)61-55-32-14-15-33-56(55)62(54-31-13-11-27-50(54)44-22-6-2-7-23-44)58-42-48(40-41-57(58)61)63(45-24-8-3-9-25-45)46-36-38-47(39-37-46)64-59-34-18-16-28-51(59)52-29-17-19-35-60(52)64;1-4-19-43(20-5-1)45-23-16-25-47(41-45)60-54-31-10-11-32-55(54)61(48-26-17-24-46(42-48)44-21-6-2-7-22-44)62-56(60)33-18-36-59(62)63(49-27-8-3-9-28-49)50-37-39-51(40-38-50)64-57-34-14-12-29-52(57)53-30-13-15-35-58(53)64/h1-54H;3*1-42H |
| InChIKey | AXWUERCWNQHPMO-UHFFFAOYSA-N |
| XLogP | 74.26 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 282 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3584.51 |
| LogP ≤ 5 | 74.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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