6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene

C347H294O7 — CID 158719333

IUPAC6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene
SMILESC/C=C/C=c1\c(=C/C=C2/Cc3ccccc3C2(C)C)oc2ccccc12.C/C=C\c1c(C)oc2cc3c4c(ccc3cc12)C(C)(C)c1cc(-c2c3ccccc3c(-c3cccc5ccccc35)c3ccccc23)ccc1-4.C=CC.C=CC.C=CC/C=C\C=C(/CC=C)c1c2ccccc2c(/C(C)=C/C=C2\Cc3c(c4oc5ccccc5c4c4ccccc34)C2(C)C)c2ccccc12.CC.CC.CC.CC.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1c2ccc2oc3c(c21)CCC=C3.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21.CC1(C)c2cc(-c3c4ccccc4cc4ccccc34)ccc2-c2c1ccc1c2ccc2c3ccccc3oc12.CC=c1c(-c2ccc3c(c2)-c2c(c4c(C)c(/C=C\C)oc4c4ccccc24)C3(C)C)ccccccc(-c2cccc3ccccc23)/c1=C/C.c1ccc2ccccc2c1.c1ccccccccccccc1
InChIInChI=1S/C49H32O.C49H34O.C49H36O.2C49H42O.C39H26O.C25H24O.C14H14.C10H8.2C3H6.4C2H6/c1-49(2)42-25-23-30-27-45-41(33-15-9-10-21-44(33)50-45)28-40(30)48(42)39-24-22-31(26-43(39)49)46-35-16-5-7-18-37(35)47(38-19-8-6-17-36(38)46)34-20-11-13-29-12-3-4-14-32(29)34;1-49(2)41-26-24-38-37(25-27-44-48(38)40-19-9-10-21-43(40)50-44)47(41)39-23-22-30(28-42(39)49)45-33-15-5-7-17-35(33)46(36-18-8-6-16-34(36)45)32-20-11-13-29-12-3-4-14-31(29)32;1-5-13-33-29(2)50-45-28-41-31(26-42(33)45)23-25-43-48(41)40-24-22-32(27-44(40)49(43,3)4)46-36-17-8-10-19-38(36)47(39-20-11-9-18-37(39)46)35-21-12-15-30-14-6-7-16-34(30)35;1-7-19-44-31(4)45-47-46(40-25-16-17-26-41(40)48(45)50-44)42-30-33(28-29-43(42)49(47,5)6)37-22-12-10-11-13-24-38(35(9-3)34(37)8-2)39-27-18-21-32-20-14-15-23-36(32)39;1-6-8-9-10-20-33(19-7-2)45-39-25-15-13-23-37(39)44(38-24-14-16-26-40(38)45)32(3)29-30-34-31-42-35-21-11-12-22-36(35)46-41-27-17-18-28-43(41)50-48(46)47(42)49(34,4)5;1-39(2)33-20-19-31-29(17-18-30-28-13-7-8-14-35(28)40-38(30)31)37(33)32-16-15-25(22-34(32)39)36-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)36;1-4-5-11-20-21-12-7-9-14-23(21)26-24(20)16-15-19-17-18-10-6-8-13-22(18)25(19,2)3;1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2;4*1-2/h3-28H,1-2H3;3-8,10-18,20-28H,9,19H2,1-2H3;5-28H,1-4H3;7-30H,1-6H3;6-7,9-18,20-30H,1-2,8,19,31H2,3-5H3;3-22H,1-2H3;4-16H,17H2,1-3H3;1-14H;1-8H;2*3H,1H2,2H3;4*1-2H3/b;;13-5-;12-10+,13-11-,19-7-,34-8?,35-9+,37-22-,38-24-;10-9-,32-29+,33-20+,34-30+;;5-4+,19-15-,20-11-,24-16+;2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12-,14-13-;;;;;;;
InChIKeyIJSDMUYUAYQERS-YOIDRTNQSA-N
MW4576.16 g/mol
LogP97.27
Rot. Bonds21

About 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene

6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene (PubChem CID 158719333) has the molecular formula C347H294O7 and a molecular weight of 4576.16 g/mol. Its IUPAC name is 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene.

Molecular Properties

Compound Name6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene
PubChem CID158719333
Molecular FormulaC347H294O7
Molecular Weight4576.16 g/mol
Exact Mass4572.26
IUPAC Name6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene
SMILESC/C=C/C=c1\c(=C/C=C2/Cc3ccccc3C2(C)C)oc2ccccc12.C/C=C\c1c(C)oc2cc3c4c(ccc3cc12)C(C)(C)c1cc(-c2c3ccccc3c(-c3cccc5ccccc35)c3ccccc23)ccc1-4.C=CC.C=CC.C=CC/C=C\C=C(/CC=C)c1c2ccccc2c(/C(C)=C/C=C2\Cc3c(c4oc5ccccc5c4c4ccccc34)C2(C)C)c2ccccc12.CC.CC.CC.CC.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1c2ccc2oc3c(c21)CCC=C3.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21.CC1(C)c2cc(-c3c4ccccc4cc4ccccc34)ccc2-c2c1ccc1c2ccc2c3ccccc3oc12.CC=c1c(-c2ccc3c(c2)-c2c(c4c(C)c(/C=C\C)oc4c4ccccc24)C3(C)C)ccccccc(-c2cccc3ccccc23)/c1=C/C.c1ccc2ccccc2c1.c1ccccccccccccc1
InChIInChI=1S/C49H32O.C49H34O.C49H36O.2C49H42O.C39H26O.C25H24O.C14H14.C10H8.2C3H6.4C2H6/c1-49(2)42-25-23-30-27-45-41(33-15-9-10-21-44(33)50-45)28-40(30)48(42)39-24-22-31(26-43(39)49)46-35-16-5-7-18-37(35)47(38-19-8-6-17-36(38)46)34-20-11-13-29-12-3-4-14-32(29)34;1-49(2)41-26-24-38-37(25-27-44-48(38)40-19-9-10-21-43(40)50-44)47(41)39-23-22-30(28-42(39)49)45-33-15-5-7-17-35(33)46(36-18-8-6-16-34(36)45)32-20-11-13-29-12-3-4-14-31(29)32;1-5-13-33-29(2)50-45-28-41-31(26-42(33)45)23-25-43-48(41)40-24-22-32(27-44(40)49(43,3)4)46-36-17-8-10-19-38(36)47(39-20-11-9-18-37(39)46)35-21-12-15-30-14-6-7-16-34(30)35;1-7-19-44-31(4)45-47-46(40-25-16-17-26-41(40)48(45)50-44)42-30-33(28-29-43(42)49(47,5)6)37-22-12-10-11-13-24-38(35(9-3)34(37)8-2)39-27-18-21-32-20-14-15-23-36(32)39;1-6-8-9-10-20-33(19-7-2)45-39-25-15-13-23-37(39)44(38-24-14-16-26-40(38)45)32(3)29-30-34-31-42-35-21-11-12-22-36(35)46-41-27-17-18-28-43(41)50-48(46)47(42)49(34,4)5;1-39(2)33-20-19-31-29(17-18-30-28-13-7-8-14-35(28)40-38(30)31)37(33)32-16-15-25(22-34(32)39)36-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)36;1-4-5-11-20-21-12-7-9-14-23(21)26-24(20)16-15-19-17-18-10-6-8-13-22(18)25(19,2)3;1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2;4*1-2/h3-28H,1-2H3;3-8,10-18,20-28H,9,19H2,1-2H3;5-28H,1-4H3;7-30H,1-6H3;6-7,9-18,20-30H,1-2,8,19,31H2,3-5H3;3-22H,1-2H3;4-16H,17H2,1-3H3;1-14H;1-8H;2*3H,1H2,2H3;4*1-2H3/b;;13-5-;12-10+,13-11-,19-7-,34-8?,35-9+,37-22-,38-24-;10-9-,32-29+,33-20+,34-30+;;5-4+,19-15-,20-11-,24-16+;2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12-,14-13-;;;;;;;
InChIKeyIJSDMUYUAYQERS-YOIDRTNQSA-N
XLogP97.27
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms354
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004576.16
LogP ≤ 597.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene with MolForge

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What is the IUPAC name of 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene?
The IUPAC name of 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene (CID 158719333) is 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene.
What is the SMILES notation for 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene?
The canonical SMILES for 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene is C/C=C/C=c1\c(=C/C=C2/Cc3ccccc3C2(C)C)oc2ccccc12.C/C=C\c1c(C)oc2cc3c4c(ccc3cc12)C(C)(C)c1cc(-c2c3ccccc3c(-c3cccc5ccccc35)c3ccccc23)ccc1-4.C=CC.C=CC.C=CC/C=C\C=C(/CC=C)c1c2ccccc2c(/C(C)=C/C=C2\Cc3c(c4oc5ccccc5c4c4ccccc34)C2(C)C)c2ccccc12.CC.CC.CC.CC.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1c2ccc2oc3c(c21)CCC=C3.CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21.CC1(C)c2cc(-c3c4ccccc4cc4ccccc34)ccc2-c2c1ccc1c2ccc2c3ccccc3oc12.CC=c1c(-c2ccc3c(c2)-c2c(c4c(C)c(/C=C\C)oc4c4ccccc24)C3(C)C)ccccccc(-c2cccc3ccccc23)/c1=C/C.c1ccc2ccccc2c1.c1ccccccccccccc1.
What is the InChIKey of 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene?
The InChIKey is IJSDMUYUAYQERS-YOIDRTNQSA-N. The full InChI is InChI=1S/C49H32O.C49H34O.C49H36O.2C49H42O.C39H26O.C25H24O.C14H14.C10H8.2C3H6.4C2H6/c1-49(2)42-25-23-30-27-45-41(33-15-9-10-21-44(33)50-45)28-40(30)48(42)39-24-22-31(26-43(39)49)46-35-16-5-7-18-37(35)47(38-19-8-6-17-36(38)46)34-20-11-13-29-12-3-4-14-32(29)34;1-49(2)41-26-24-38-37(25-27-44-48(38)40-19-9-10-21-43(40)50-44)47(41)39-23-22-30(28-42(39)49)45-33-15-5-7-17-35(33)46(36-18-8-6-16-34(36)45)32-20-11-13-29-12-3-4-14-31(29)32;1-5-13-33-29(2)50-45-28-41-31(26-42(33)45)23-25-43-48(41)40-24-22-32(27-44(40)49(43,3)4)46-36-17-8-10-19-38(36)47(39-20-11-9-18-37(39)46)35-21-12-15-30-14-6-7-16-34(30)35;1-7-19-44-31(4)45-47-46(40-25-16-17-26-41(40)48(45)50-44)42-30-33(28-29-43(42)49(47,5)6)37-22-12-10-11-13-24-38(35(9-3)34(37)8-2)39-27-18-21-32-20-14-15-23-36(32)39;1-6-8-9-10-20-33(19-7-2)45-39-25-15-13-23-37(39)44(38-24-14-16-26-40(38)45)32(3)29-30-34-31-42-35-21-11-12-22-36(35)46-41-27-17-18-28-43(41)50-48(46)47(42)49(34,4)5;1-39(2)33-20-19-31-29(17-18-30-28-13-7-8-14-35(28)40-38(30)31)37(33)32-16-15-25(22-34(32)39)36-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)36;1-4-5-11-20-21-12-7-9-14-23(21)26-24(20)16-15-19-17-18-10-6-8-13-22(18)25(19,2)3;1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;1-2-6-10-8-4-3-7-9(10)5-1;2*1-3-2;4*1-2/h3-28H,1-2H3;3-8,10-18,20-28H,9,19H2,1-2H3;5-28H,1-4H3;7-30H,1-6H3;6-7,9-18,20-30H,1-2,8,19,31H2,3-5H3;3-22H,1-2H3;4-16H,17H2,1-3H3;1-14H;1-8H;2*3H,1H2,2H3;4*1-2H3/b;;13-5-;12-10+,13-11-,19-7-,34-8?,35-9+,37-22-,38-24-;10-9-,32-29+,33-20+,34-30+;;5-4+,19-15-,20-11-,24-16+;2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8+,11-9+,12-10+,13-11+,14-12-,14-13-;;;;;;;.
What are the key properties of 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene?
6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene has a molecular weight of 4576.16 g/mol, XLogP of 97.27, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anthracen-9-yl-9,9-dimethyl-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene;(2E,3Z)-3-[(E)-but-2-enylidene]-2-[(2Z)-2-(3,3-dimethyl-1H-inden-2-ylidene)ethylidene]-1-benzofuran;cyclotetradecaheptaene;(4E)-4-[(E)-3-[10-[(4E,6Z)-deca-1,4,6,9-tetraen-4-yl]anthracen-9-yl]but-2-enylidene]-3,3-dimethyl-20-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7,9,11,14,16,18-octaene;16-[(9E)-9,10-di(ethylidene)-8-naphthalen-1-ylcyclodeca-1,3,5,7-tetraen-1-yl]-3,20,20-trimethyl-4-[(Z)-prop-1-enyl]-5-oxapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14(19),15,17-nonaene;21,21-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene;9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene;ethane;naphthalene;bis(prop-1-ene);9,9,17-trimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-16-[(Z)-prop-1-enyl]-18-oxapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene is sourced from PubChem (CID 158719333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).