C238H164O12 — CID 157208087
11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene (PubChem CID 157208087) has the molecular formula C238H164O12 and a molecular weight of 3215.92 g/mol. Its IUPAC name is 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene.
| Compound Name | 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene |
|---|---|
| PubChem CID | 157208087 |
| Molecular Formula | C238H164O12 |
| Molecular Weight | 3215.92 g/mol |
| Exact Mass | 3213.22 |
| IUPAC Name | 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene |
| SMILES | C=COc1ccc(C2(c3ccc(OC=C)cc3)c3ccccc3-c3ccccc32)cc1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4cc5ccccc5cc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1 |
| InChI | InChI=1S/2C45H30O2.2C41H28O2.C37H26O2.C29H22O2/c1-3-46-37-21-15-31-25-35(19-13-33(31)27-37)45(36-20-14-34-28-38(47-4-2)22-16-32(34)26-36)41-23-17-29-9-5-7-11-39(29)43(41)44-40-12-8-6-10-30(40)18-24-42(44)45;1-3-46-39-19-15-33-21-37(17-13-35(33)23-39)45(38-18-14-36-24-40(47-4-2)20-16-34(36)22-38)43-27-31-11-7-5-9-29(31)25-41(43)42-26-30-10-6-8-12-32(30)28-44(42)45;1-3-42-34-20-15-28-23-32(18-13-30(28)25-34)41(33-19-14-31-26-35(43-4-2)21-16-29(31)24-33)38-12-8-7-11-37(38)40-36-10-6-5-9-27(36)17-22-39(40)41;1-3-42-35-19-15-29-21-33(17-13-31(29)23-35)41(34-18-14-32-24-36(43-4-2)20-16-30(32)22-34)39-12-8-7-11-37(39)38-25-27-9-5-6-10-28(27)26-40(38)41;1-3-38-31-19-15-25-21-29(17-13-27(25)23-31)37(30-18-14-28-24-32(39-4-2)20-16-26(28)22-30)35-11-7-5-9-33(35)34-10-6-8-12-36(34)37;1-3-30-23-17-13-21(14-18-23)29(22-15-19-24(20-16-22)31-4-2)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29/h2*3-28H,1-2H2;2*3-26H,1-2H2;3-24H,1-2H2;3-20H,1-2H2 |
| InChIKey | AROQEVBBXQDHHL-UHFFFAOYSA-N |
| XLogP | 61.02 |
| TPSA | 110.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 250 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3215.92 |
| LogP ≤ 5 | 61.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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