C187H123N9 — CID 157249791
10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 157249791) has the molecular formula C187H123N9 and a molecular weight of 2496.10 g/mol. Its IUPAC name is 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene].
| Compound Name | 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] |
|---|---|
| PubChem CID | 157249791 |
| Molecular Formula | C187H123N9 |
| Molecular Weight | 2496.10 g/mol |
| Exact Mass | 2493.99 |
| IUPAC Name | 10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] |
| SMILES | Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)ccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc5-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4ccccc43)c2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6N(c6cc(-c7ccccc7)cc(-c7ccccc7)n6)c6ccccc65)ccc43)cc2)cc1 |
| InChI | InChI=1S/C66H43N3.C61H41N3.C60H39N3/c1-4-18-44(19-5-1)46-32-36-51(37-33-46)68-61-29-15-11-25-54(61)55-40-48(35-39-62(55)68)49-34-38-53-52-24-10-12-26-56(52)66(59(53)41-49)57-27-13-16-30-63(57)69(64-31-17-14-28-58(64)66)65-43-50(45-20-6-2-7-21-45)42-60(67-65)47-22-8-3-9-23-47;1-40-28-32-46(33-29-40)63-56-25-13-9-21-49(56)50-36-43(31-35-57(50)63)44-30-34-48-47-20-8-10-22-51(47)61(54(48)37-44)52-23-11-14-26-58(52)64(59-27-15-12-24-53(59)61)60-39-45(41-16-4-2-5-17-41)38-55(62-60)42-18-6-3-7-19-42;1-4-18-40(19-5-1)44-38-54(41-20-6-2-7-21-41)61-59(39-44)63-57-30-16-13-27-51(57)60(52-28-14-17-31-58(52)63)50-26-12-10-24-46(50)47-34-32-43(37-53(47)60)42-33-35-56-49(36-42)48-25-11-15-29-55(48)62(56)45-22-8-3-9-23-45/h1-43H;2-39H,1H3;1-39H |
| InChIKey | AWFAPYSCCWMNJT-UHFFFAOYSA-N |
| XLogP | 47.95 |
| TPSA | 63.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 196 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2496.10 |
| LogP ≤ 5 | 47.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |