7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

C417H264O9 — CID 159176161

IUPAC7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc(c7cccc3c47)c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7ccccc7c6)c6cccc(c7cccc3c47)c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc6cccc(c7cccc3c47)c65)cc21.c1ccc(-c2ccc(-c3ccc4oc5cccc6cccc(c7cccc3c47)c65)c3ccccc23)cc1.c1ccc(-c2ccc3oc4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc(c6cccc2c36)c45)cc1.c1ccc2c(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9ccccc89)c8ccccc78)c7cccc(c8cccc4c58)c67)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9ccccc89)cc7)c7cccc(c8cccc4c58)c67)cc3)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5oc6cccc7cccc(c8cccc4c58)c76)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)c7cccc(c8cccc4c58)c67)cc3)ccc2c1
InChIInChI=1S/C60H36O.2C52H32O.C51H30O.C50H36O.C45H30O.2C36H22O.C35H24O/c1-3-17-39-37(13-1)15-9-23-41(39)47-29-31-49(45-21-7-5-19-43(45)47)51-33-35-57-59-53(51)25-11-27-55(59)56-28-12-26-54-52(34-36-58(61-57)60(54)56)50-32-30-48(44-20-6-8-22-46(44)50)42-24-10-16-38-14-2-4-18-40(38)42;1-3-13-39-33(9-1)11-5-15-41(39)35-21-25-37(26-22-35)43-29-31-49-51-45(43)17-7-19-47(51)48-20-8-18-46-44(30-32-50(53-49)52(46)48)38-27-23-36(24-28-38)42-16-6-12-34-10-2-4-14-40(34)42;1-3-9-39-31-41(25-19-33(39)7-1)35-15-21-37(22-16-35)43-27-29-49-51-45(43)11-5-13-47(51)48-14-6-12-46-44(28-30-50(53-49)52(46)48)38-23-17-36(18-24-38)42-26-20-34-8-2-4-10-40(34)32-42;1-2-13-31(14-3-1)32-27-29-46-49-36(32)18-10-20-39(49)40-21-11-19-38-33(28-30-47(52-46)50(38)40)37-22-12-26-45-48(37)41-17-6-9-25-44(41)51(45)42-23-7-4-15-34(42)35-16-5-8-24-43(35)51;1-49(2)41-17-7-5-11-33(41)35-21-19-29(27-43(35)49)31-23-25-45-47-37(31)13-9-15-39(47)40-16-10-14-38-32(24-26-46(51-45)48(38)40)30-20-22-36-34-12-6-8-18-42(34)50(3,4)44(36)28-30;1-45(2)39-16-6-5-11-33(39)34-20-19-30(26-40(34)45)32-22-24-42-44-36(32)13-8-15-38(44)37-14-7-12-35-31(21-23-41(46-42)43(35)37)29-18-17-27-9-3-4-10-28(27)25-29;1-2-11-27-23(7-1)8-3-12-28(27)24-17-19-25(20-18-24)29-21-22-34-36-30(29)14-6-15-32(36)31-13-4-9-26-10-5-16-33(37-34)35(26)31;1-2-9-23(10-3-1)25-19-20-28(27-14-5-4-13-26(25)27)29-21-22-34-36-30(29)16-8-17-32(36)31-15-6-11-24-12-7-18-33(37-34)35(24)31;1-35(2)29-14-4-3-10-24(29)25-17-16-22(20-30(25)35)23-18-19-32-34-26(23)12-7-13-28(34)27-11-5-8-21-9-6-15-31(36-32)33(21)27/h1-36H;2*1-32H;1-30H;5-28H,1-4H3;3-26H,1-2H3;2*1-22H;3-20H,1-2H3
InChIKeyKMHPGJKHXJZAFS-UHFFFAOYSA-N
MW5418.69 g/mol
LogP117.63
Rot. Bonds23

About 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (PubChem CID 159176161) has the molecular formula C417H264O9 and a molecular weight of 5418.69 g/mol. Its IUPAC name is 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

Compound Name7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
PubChem CID159176161
Molecular FormulaC417H264O9
Molecular Weight5418.69 g/mol
Exact Mass5414.02
IUPAC Name7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc(c7cccc3c47)c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7ccccc7c6)c6cccc(c7cccc3c47)c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc6cccc(c7cccc3c47)c65)cc21.c1ccc(-c2ccc(-c3ccc4oc5cccc6cccc(c7cccc3c47)c65)c3ccccc23)cc1.c1ccc(-c2ccc3oc4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc(c6cccc2c36)c45)cc1.c1ccc2c(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9ccccc89)c8ccccc78)c7cccc(c8cccc4c58)c67)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9ccccc89)cc7)c7cccc(c8cccc4c58)c67)cc3)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5oc6cccc7cccc(c8cccc4c58)c76)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)c7cccc(c8cccc4c58)c67)cc3)ccc2c1
InChIInChI=1S/C60H36O.2C52H32O.C51H30O.C50H36O.C45H30O.2C36H22O.C35H24O/c1-3-17-39-37(13-1)15-9-23-41(39)47-29-31-49(45-21-7-5-19-43(45)47)51-33-35-57-59-53(51)25-11-27-55(59)56-28-12-26-54-52(34-36-58(61-57)60(54)56)50-32-30-48(44-20-6-8-22-46(44)50)42-24-10-16-38-14-2-4-18-40(38)42;1-3-13-39-33(9-1)11-5-15-41(39)35-21-25-37(26-22-35)43-29-31-49-51-45(43)17-7-19-47(51)48-20-8-18-46-44(30-32-50(53-49)52(46)48)38-27-23-36(24-28-38)42-16-6-12-34-10-2-4-14-40(34)42;1-3-9-39-31-41(25-19-33(39)7-1)35-15-21-37(22-16-35)43-27-29-49-51-45(43)11-5-13-47(51)48-14-6-12-46-44(28-30-50(53-49)52(46)48)38-23-17-36(18-24-38)42-26-20-34-8-2-4-10-40(34)32-42;1-2-13-31(14-3-1)32-27-29-46-49-36(32)18-10-20-39(49)40-21-11-19-38-33(28-30-47(52-46)50(38)40)37-22-12-26-45-48(37)41-17-6-9-25-44(41)51(45)42-23-7-4-15-34(42)35-16-5-8-24-43(35)51;1-49(2)41-17-7-5-11-33(41)35-21-19-29(27-43(35)49)31-23-25-45-47-37(31)13-9-15-39(47)40-16-10-14-38-32(24-26-46(51-45)48(38)40)30-20-22-36-34-12-6-8-18-42(34)50(3,4)44(36)28-30;1-45(2)39-16-6-5-11-33(39)34-20-19-30(26-40(34)45)32-22-24-42-44-36(32)13-8-15-38(44)37-14-7-12-35-31(21-23-41(46-42)43(35)37)29-18-17-27-9-3-4-10-28(27)25-29;1-2-11-27-23(7-1)8-3-12-28(27)24-17-19-25(20-18-24)29-21-22-34-36-30(29)14-6-15-32(36)31-13-4-9-26-10-5-16-33(37-34)35(26)31;1-2-9-23(10-3-1)25-19-20-28(27-14-5-4-13-26(25)27)29-21-22-34-36-30(29)16-8-17-32(36)31-15-6-11-24-12-7-18-33(37-34)35(24)31;1-35(2)29-14-4-3-10-24(29)25-17-16-22(20-30(25)35)23-18-19-32-34-26(23)12-7-13-28(34)27-11-5-8-21-9-6-15-31(36-32)33(21)27/h1-36H;2*1-32H;1-30H;5-28H,1-4H3;3-26H,1-2H3;2*1-22H;3-20H,1-2H3
InChIKeyKMHPGJKHXJZAFS-UHFFFAOYSA-N
XLogP117.63
TPSA118.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms426
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005418.69
LogP ≤ 5117.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The IUPAC name of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (CID 159176161) is 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.
What is the SMILES notation for 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The canonical SMILES for 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6cccc(c7cccc3c47)c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5ccc(-c6ccc7ccccc7c6)c6cccc(c7cccc3c47)c56)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cccc6cccc(c7cccc3c47)c65)cc21.c1ccc(-c2ccc(-c3ccc4oc5cccc6cccc(c7cccc3c47)c65)c3ccccc23)cc1.c1ccc(-c2ccc3oc4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5cccc(c6cccc2c36)c45)cc1.c1ccc2c(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9ccccc89)c8ccccc78)c7cccc(c8cccc4c58)c67)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9ccccc89)cc7)c7cccc(c8cccc4c58)c67)cc3)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5oc6cccc7cccc(c8cccc4c58)c76)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8ccc9ccccc9c8)cc7)c7cccc(c8cccc4c58)c67)cc3)ccc2c1.
What is the InChIKey of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The InChIKey is KMHPGJKHXJZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O.2C52H32O.C51H30O.C50H36O.C45H30O.2C36H22O.C35H24O/c1-3-17-39-37(13-1)15-9-23-41(39)47-29-31-49(45-21-7-5-19-43(45)47)51-33-35-57-59-53(51)25-11-27-55(59)56-28-12-26-54-52(34-36-58(61-57)60(54)56)50-32-30-48(44-20-6-8-22-46(44)50)42-24-10-16-38-14-2-4-18-40(38)42;1-3-13-39-33(9-1)11-5-15-41(39)35-21-25-37(26-22-35)43-29-31-49-51-45(43)17-7-19-47(51)48-20-8-18-46-44(30-32-50(53-49)52(46)48)38-27-23-36(24-28-38)42-16-6-12-34-10-2-4-14-40(34)42;1-3-9-39-31-41(25-19-33(39)7-1)35-15-21-37(22-16-35)43-27-29-49-51-45(43)11-5-13-47(51)48-14-6-12-46-44(28-30-50(53-49)52(46)48)38-23-17-36(18-24-38)42-26-20-34-8-2-4-10-40(34)32-42;1-2-13-31(14-3-1)32-27-29-46-49-36(32)18-10-20-39(49)40-21-11-19-38-33(28-30-47(52-46)50(38)40)37-22-12-26-45-48(37)41-17-6-9-25-44(41)51(45)42-23-7-4-15-34(42)35-16-5-8-24-43(35)51;1-49(2)41-17-7-5-11-33(41)35-21-19-29(27-43(35)49)31-23-25-45-47-37(31)13-9-15-39(47)40-16-10-14-38-32(24-26-46(51-45)48(38)40)30-20-22-36-34-12-6-8-18-42(34)50(3,4)44(36)28-30;1-45(2)39-16-6-5-11-33(39)34-20-19-30(26-40(34)45)32-22-24-42-44-36(32)13-8-15-38(44)37-14-7-12-35-31(21-23-41(46-42)43(35)37)29-18-17-27-9-3-4-10-28(27)25-29;1-2-11-27-23(7-1)8-3-12-28(27)24-17-19-25(20-18-24)29-21-22-34-36-30(29)14-6-15-32(36)31-13-4-9-26-10-5-16-33(37-34)35(26)31;1-2-9-23(10-3-1)25-19-20-28(27-14-5-4-13-26(25)27)29-21-22-34-36-30(29)16-8-17-32(36)31-15-6-11-24-12-7-18-33(37-34)35(24)31;1-35(2)29-14-4-3-10-24(29)25-17-16-22(20-30(25)35)23-18-19-32-34-26(23)12-7-13-28(34)27-11-5-8-21-9-6-15-31(36-32)33(21)27/h1-36H;2*1-32H;1-30H;5-28H,1-4H3;3-26H,1-2H3;2*1-22H;3-20H,1-2H3.
What are the key properties of 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene has a molecular weight of 5418.69 g/mol, XLogP of 117.63, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 159176161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).