C275H170N12O7 — CID 159244664
3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;11-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (PubChem CID 159244664) has the molecular formula C275H170N12O7 and a molecular weight of 3754.46 g/mol. Its IUPAC name is 3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;11-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.
| Compound Name | 3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;11-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene |
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| PubChem CID | 159244664 |
| Molecular Formula | C275H170N12O7 |
| Molecular Weight | 3754.46 g/mol |
| Exact Mass | 3751.33 |
| IUPAC Name | 3-naphthalen-1-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;4-naphthalen-1-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;4-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyridazine;11-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)nn2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)Oc5ccccc5C65c6ccccc6-c6ccccc65)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)o2)cc1.c1ccc2c(c1)Oc1cc(-c3ccc(-c4ccc(-c5cccc6ccccc56)nn4)cc3)ccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1cc(-c3ccc(-c4ccc5c6ccccc6c6nc7ccccc7n6c5c4)cc3)ccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Oc1cc(-c3ccc(-c4nc(-c5cccc6ccccc56)c5ccccc5n4)cc3)ccc1C21c2ccccc2-c2ccccc21 |
| InChI | InChI=1S/C51H32N2O.C50H30N2O.C49H30N2O.C45H28N2O.C41H26N2O.C39H24N2O2/c1-2-12-33(13-3-1)34-22-26-36(27-23-34)49-41-16-6-10-20-46(41)52-50(53-49)37-28-24-35(25-29-37)38-30-31-45-48(32-38)54-47-21-11-9-19-44(47)51(45)42-17-7-4-14-39(42)40-15-5-8-18-43(40)51;1-2-14-39-35(11-1)38-27-25-33(29-46(38)52-45-19-9-8-18-44(45)51-49(39)52)31-21-23-32(24-22-31)34-26-28-43-48(30-34)53-47-20-10-7-17-42(47)50(43)40-15-5-3-12-36(40)37-13-4-6-16-41(37)50;1-2-14-35-32(12-1)13-11-18-38(35)47-39-17-5-9-22-44(39)50-48(51-47)33-26-24-31(25-27-33)34-28-29-43-46(30-34)52-45-23-10-8-21-42(45)49(43)40-19-6-3-15-36(40)37-16-4-7-20-41(37)49;1-2-12-33-30(10-1)11-9-15-36(33)42-27-26-41(46-47-42)31-22-20-29(21-23-31)32-24-25-40-44(28-32)48-43-19-8-7-18-39(43)45(40)37-16-5-3-13-34(37)35-14-4-6-17-38(35)45;1-2-10-28(11-3-1)37-24-25-38(43-42-37)29-20-18-27(19-21-29)30-22-23-36-40(26-30)44-39-17-9-8-16-35(39)41(36)33-14-6-4-12-31(33)32-13-5-7-15-34(32)41;1-2-10-26(11-3-1)37-40-41-38(43-37)27-20-18-25(19-21-27)28-22-23-34-36(24-28)42-35-17-9-8-16-33(35)39(34)31-14-6-4-12-29(31)30-13-5-7-15-32(30)39/h1-32H;1-30H;1-30H;1-28H;1-26H;1-24H |
| InChIKey | KUNMEXLTRKVVJK-UHFFFAOYSA-N |
| XLogP | 68.20 |
| TPSA | 214.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 294 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3754.46 |
| LogP ≤ 5 | 68.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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