C234H135N23 — CID 159404542
3-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-4,5-diisocyanobenzonitrile;4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-isocyanobenzene-1,3-dicarbonitrile;10-(4-isocyano-3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene];5-isocyano-4-pyrido[4,3-b]indol-5-yl-2-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;3-pyrido[4,3-b]indol-5-yl-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile (PubChem CID 159404542) has the molecular formula C234H135N23 and a molecular weight of 3268.81 g/mol. Its IUPAC name is 3-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-4,5-diisocyanobenzonitrile;4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-isocyanobenzene-1,3-dicarbonitrile;10-(4-isocyano-3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene];5-isocyano-4-pyrido[4,3-b]indol-5-yl-2-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;3-pyrido[4,3-b]indol-5-yl-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile.
| Compound Name | 3-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-4,5-diisocyanobenzonitrile;4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-isocyanobenzene-1,3-dicarbonitrile;10-(4-isocyano-3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene];5-isocyano-4-pyrido[4,3-b]indol-5-yl-2-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;3-pyrido[4,3-b]indol-5-yl-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile |
|---|---|
| PubChem CID | 159404542 |
| Molecular Formula | C234H135N23 |
| Molecular Weight | 3268.81 g/mol |
| Exact Mass | 3266.13 |
| IUPAC Name | 3-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-4,5-diisocyanobenzonitrile;4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-isocyanobenzene-1,3-dicarbonitrile;10-(4-isocyano-3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene];5-isocyano-4-pyrido[4,3-b]indol-5-yl-2-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;3-pyrido[4,3-b]indol-5-yl-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile |
| SMILES | N#Cc1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc(-n2c3ccccc3c3cnccc32)c1.[C-]#[N+]c1cc(C#N)c(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1-n1c2ccccc2c2cnccc21.[C-]#[N+]c1cc(C#N)cc(-c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1[N+]#[C-].[C-]#[N+]c1cc(C#N)cc(C#N)c1-c1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1-n1c2ccccc2c2cnccc21 |
| InChI | InChI=1S/2C52H29N5.C44H25N5.2C43H26N4/c1-54-46-28-33(32-53)27-41(51(46)55-2)34-29-35(56-47-23-11-5-17-39(47)40-18-6-12-24-48(40)56)31-36(30-34)57-49-25-13-9-21-44(49)52(45-22-10-14-26-50(45)57)42-19-7-3-15-37(42)38-16-4-8-20-43(38)52;1-55-46-27-33(31-53)26-35(32-54)51(46)34-28-36(56-47-22-10-4-16-40(47)41-17-5-11-23-48(41)56)30-37(29-34)57-49-24-12-8-20-44(49)52(45-21-9-13-25-50(45)57)42-18-6-2-14-38(42)39-15-3-7-19-43(39)52;1-46-37-24-28(26-45)42(25-43(37)48-38-19-9-4-14-31(38)32-27-47-23-22-39(32)48)49-40-20-10-7-17-35(40)44(36-18-8-11-21-41(36)49)33-15-5-2-12-29(33)30-13-3-6-16-34(30)44;1-44-37-23-22-28(26-42(37)47-38-19-9-4-14-31(38)32-27-45-25-24-39(32)47)46-40-20-10-7-17-35(40)43(36-18-8-11-21-41(36)46)33-15-5-2-12-29(33)30-13-3-6-16-34(30)43;44-26-28-23-29(46-39-18-8-3-13-33(39)34-27-45-22-21-40(34)46)25-30(24-28)47-41-19-9-6-16-37(41)43(38-17-7-10-20-42(38)47)35-14-4-1-11-31(35)32-12-2-5-15-36(32)43/h3-31H;2-30H;2-25,27H;2-27H;1-25,27H |
| InChIKey | LNUAESLHSXWTAR-UHFFFAOYSA-N |
| XLogP | 58.28 |
| TPSA | 220.27 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 257 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3268.81 |
| LogP ≤ 5 | 58.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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