C228H155N5O10 — CID 158819422
2-[[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]methylidene]-5-methylindene-1,3-dione;2-[[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]phenyl]methylidene]-5-methylindene-1,3-dione;2-[3-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]prop-2-enylidene]-5-methylindene-1,3-dione;2-[[3-ethyl-6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione (PubChem CID 158819422) has the molecular formula C228H155N5O10 and a molecular weight of 3124.77 g/mol. Its IUPAC name is 2-[[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]methylidene]-5-methylindene-1,3-dione;2-[[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]phenyl]methylidene]-5-methylindene-1,3-dione;2-[3-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]prop-2-enylidene]-5-methylindene-1,3-dione;2-[[3-ethyl-6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione.
| Compound Name | 2-[[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]methylidene]-5-methylindene-1,3-dione;2-[[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]phenyl]methylidene]-5-methylindene-1,3-dione;2-[3-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]prop-2-enylidene]-5-methylindene-1,3-dione;2-[[3-ethyl-6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione |
|---|---|
| PubChem CID | 158819422 |
| Molecular Formula | C228H155N5O10 |
| Molecular Weight | 3124.77 g/mol |
| Exact Mass | 3122.18 |
| IUPAC Name | 2-[[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]methylidene]-5-methylindene-1,3-dione;2-[[2-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]phenyl]methylidene]-5-methylindene-1,3-dione;2-[3-[6-(dinaphthalen-2-ylamino)-3-methylnaphthalen-2-yl]prop-2-enylidene]-5-methylindene-1,3-dione;2-[[3-ethyl-6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]-6-phenylcyclopenta[b]naphthalene-1,3-dione |
| SMILES | CCc1cc2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2cc1C=C1C(=O)c2cc3ccc(-c4ccccc4)cc3cc2C1=O.Cc1ccc2c(c1)C(=O)C(=CC=Cc1cc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3cc1C)C2=O.Cc1ccc2c(c1)C(=O)C(=Cc1cc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3cc1C)C2=O.Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1cc3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3cc1C)C2=O.O=C1C(=Cc2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3cc(-c4ccccc4)ccc3cc21 |
| InChI | InChI=1S/2C48H33NO2.C46H29NO2.C44H31NO2.C42H29NO2/c1-30-15-22-43-45(23-30)48(51)46(47(43)50)29-37-13-7-8-14-42(37)44-28-36-18-21-41(27-38(36)24-31(44)2)49(39-19-16-32-9-3-5-11-34(32)25-39)40-20-17-33-10-4-6-12-35(33)26-40;1-2-31-23-38-27-43(49(41-15-7-4-8-16-41)42-21-19-33-13-9-10-14-34(33)26-42)22-20-36(38)25-39(31)30-46-47(50)44-28-37-18-17-35(32-11-5-3-6-12-32)24-40(37)29-45(44)48(46)51;48-45-42-28-37-18-17-35(31-9-3-1-4-10-31)25-38(37)29-43(42)46(49)44(45)24-30-15-16-36-27-41(22-20-34(36)23-30)47(39-13-5-2-6-14-39)40-21-19-32-11-7-8-12-33(32)26-40;1-28-14-21-40-42(22-28)44(47)41(43(40)46)13-7-12-32-24-35-17-20-39(27-36(35)23-29(32)2)45(37-18-15-30-8-3-5-10-33(30)25-37)38-19-16-31-9-4-6-11-34(31)26-38;1-26-11-18-38-39(19-26)42(45)40(41(38)44)25-33-21-32-14-17-37(24-34(32)20-27(33)2)43(35-15-12-28-7-3-5-9-30(28)22-35)36-16-13-29-8-4-6-10-31(29)23-36/h3-29H,1-2H3;3-30H,2H2,1H3;1-29H;3-27H,1-2H3;3-25H,1-2H3 |
| InChIKey | IVRHDQATMFDUQN-UHFFFAOYSA-N |
| XLogP | 58.36 |
| TPSA | 186.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3124.77 |
| LogP ≤ 5 | 58.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'} |
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