C199H122N4O5 — CID 160755505
N-dibenzofuran-3-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-amine (PubChem CID 160755505) has the molecular formula C199H122N4O5 and a molecular weight of 2649.19 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-amine.
| Compound Name | N-dibenzofuran-3-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-amine |
|---|---|
| PubChem CID | 160755505 |
| Molecular Formula | C199H122N4O5 |
| Molecular Weight | 2649.19 g/mol |
| Exact Mass | 2646.94 |
| IUPAC Name | N-dibenzofuran-3-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-3-amine;N-phenanthren-9-yl-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3oc3ccccc43)c3ccc4ccccc4c3)cc2)cc1.c1ccc(N(c2ccc3c(c2)-c2c(oc4ccccc24)C32c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2oc2ccccc32)cc1.c1ccc(N(c2cccc3c2-c2c(oc4ccccc24)C32c3ccccc3-c3ccccc32)c2cc3ccccc3c3ccccc23)cc1 |
| InChI | InChI=1S/C58H35NO.C49H31NO.C47H29NO.C45H27NO2/c1-2-16-36(17-3-1)59(37-30-32-43-41-20-6-12-26-49(41)57(52(43)34-37)47-24-10-4-18-39(47)40-19-5-11-25-48(40)57)38-31-33-44-42-21-7-13-27-50(42)58(53(44)35-38)51-28-14-8-22-45(51)55-46-23-9-15-29-54(46)60-56(55)58;1-2-12-32(13-3-1)34-22-25-36(26-23-34)50(37-27-24-33-14-4-5-15-35(33)30-37)38-28-29-45-42(31-38)39-16-6-9-19-43(39)49(45)44-20-10-7-17-40(44)47-41-18-8-11-21-46(41)51-48(47)49;1-2-16-31(17-3-1)48(42-29-30-15-4-5-18-32(30)33-19-6-7-22-36(33)42)41-27-14-26-40-45(41)44-37-23-10-13-28-43(37)49-46(44)47(40)38-24-11-8-20-34(38)35-21-9-12-25-39(35)47;1-2-12-28(13-3-1)46(30-22-24-34-33-16-6-10-20-40(33)47-42(34)27-30)29-23-25-39-36(26-29)43-35-17-7-11-21-41(35)48-44(43)45(39)37-18-8-4-14-31(37)32-15-5-9-19-38(32)45/h1-35H;1-31H;1-29H;1-27H |
| InChIKey | RXJIWDJNUJWOPO-UHFFFAOYSA-N |
| XLogP | 52.35 |
| TPSA | 78.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2649.19 |
| LogP ≤ 5 | 52.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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