About 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene
7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene (PubChem CID 162223590) has the molecular formula C208H152O4S4
and a molecular weight of 2843.77 g/mol. Its IUPAC name is 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene.
Frequently Asked Questions
What is the IUPAC name of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The IUPAC name of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene (CID 162223590) is 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene.
What is the SMILES notation for 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The canonical SMILES for 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene is C1=CC2=CC=C(c3c4ccccc4c(-c4ccc5oc6c7cc8sc9ccccc9c8cc7ccc6c5c4)c4ccccc34)CC2C=C1.C=C(/C=c1/ccc(-c2ccccc2)cc1=C)c1ccccccc(C(=C)/C=c2\c(=C)sc3c2ccc2ccc4c5ccccc5oc4c23)c2ccccc12.C=C/C=c1\c(=C)oc2cc3ccc4c5ccccc5sc4c3cc12.C=CC(=C\C(=C)c1c2ccccc2c(-c2ccc3sc4c(ccc5ccc6oc7ccccc7c6c54)c3c2)c2ccccc12)/C=C(\C=C)c1ccccc1.C=CCC(C=C)/C=C\C(=C)c1ccccc1.C=CCCC=C.c1ccccc2ccccc2ccc1.
What is the InChIKey of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
The InChIKey is ZULMWFDUEOEWHR-NRYWHMAISA-N. The full InChI is InChI=1S/C52H34OS.C52H36OS.C46H28OS.C22H14OS.C16H18.C14H12.C6H10/c1-4-33(30-34(5-2)35-15-7-6-8-16-35)29-32(3)48-38-17-9-11-19-40(38)49(41-20-12-10-18-39(41)48)37-25-28-47-44(31-37)42-26-23-36-24-27-46-51(50(36)52(42)54-47)43-21-13-14-22-45(43)53-46;1-33-30-40(37-16-8-7-9-17-37)25-24-39(33)31-34(2)41-18-10-5-6-11-19-42(44-21-13-12-20-43(41)44)35(3)32-48-36(4)54-52-47(48)29-27-38-26-28-46-45-22-14-15-23-49(45)53-51(46)50(38)52;1-2-10-28-23-30(18-17-27(28)9-1)44-33-12-3-5-14-35(33)45(36-15-6-4-13-34(36)44)31-20-22-41-39(25-31)37-21-19-29-24-40-32-11-7-8-16-42(32)48-43(40)26-38(29)46(37)47-41;1-3-6-15-13(2)23-20-11-14-9-10-17-16-7-4-5-8-21(16)24-22(17)18(14)12-19(15)20;1-4-9-15(5-2)13-12-14(3)16-10-7-6-8-11-16;1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1;1-3-5-6-4-2/h4-31H,1-3H2;5-32H,1-4H2;1-22,24-26,28H,23H2;3-12H,1-2H2;4-8,10-13,15H,1-3,9H2;1-12H;3-4H,1-2,5-6H2/b33-29+,34-30+;6-5-,10-5-,11-6-,18-10+,19-11+,39-31-,41-18+,42-19+,43-41+,44-42+,48-32+;;15-6+;13-12-;2-1-,3-1-,4-2-,5-3+,6-4+,9-5+,10-6+,13-9-,14-10-;.
What are the key properties of 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene?
7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene has a molecular weight of 2843.77 g/mol, XLogP of 56.79, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;benzo[10]annulene;[(3Z)-5-ethenylocta-1,3,7-trien-2-yl]benzene;19-[10-[(3E,5E)-4-ethenyl-6-phenylocta-1,3,5,7-tetraen-2-yl]anthracen-9-yl]-9-oxa-23-thiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene;hexa-1,5-diene;(6Z)-5-methylidene-6-[2-[12-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]benzo[10]annulen-5-yl]prop-2-enylidene]-20-oxa-4-thiapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),8,11,14,16,18-octaene;(5Z)-6-methylidene-5-prop-2-enylidene-7-oxa-20-thiapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),9,11,14,16,18-octaene is sourced from PubChem (CID 162223590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).