7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene

C300H216S5 — CID 158665053

IUPAC7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
SMILESC/C=C\C=C(/C)c1c2ccccc2c(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4ccc6cc7sc8ccccc8c7cc6c4C5(C)C)ccc2-3)c2ccccc12.C=C/C=C\C(=C)c1c2ccccc2c(-c2ccc3c(c2)-c2ccc(-c4ccc5c(c4)-c4ccc6c(ccc7sc8ccccc8c76)c4C5(C)C)cc2C3(C)C)c2ccccc12.CC1(C)c2cc(-c3ccc4c(c3)-c3ccc5c(ccc6c7ccccc7sc56)c3C4(C)C)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4c(c3)-c3ccc5cc6c(cc5c3C4(C)C)sc3ccccc36)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3c-4c4c5ccccc5sc4c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/3C60H42S.C60H46S.C60H44S/c1-59(2)49-32-36(37-27-31-47-51(33-37)60(3,4)57-45-22-12-13-23-46(45)58-56(55(47)57)48-24-14-15-25-52(48)61-58)26-29-39(49)40-30-28-38(34-50(40)59)54-43-20-10-8-18-41(43)53(35-16-6-5-7-17-35)42-19-9-11-21-44(42)54;1-59(2)52-32-37(36-25-29-51-49(30-36)47-28-23-38-31-50-42-16-12-13-21-54(42)61-55(50)34-48(38)58(47)60(51,3)4)22-26-40(52)41-27-24-39(33-53(41)59)57-45-19-10-8-17-43(45)56(35-14-6-5-7-15-35)44-18-9-11-20-46(44)57;1-59(2)52-33-37(36-24-31-51-50(32-36)47-28-30-49-46(57(47)60(51,3)4)27-29-48-41-16-12-13-21-54(41)61-58(48)49)22-25-39(52)40-26-23-38(34-53(40)59)56-44-19-10-8-17-42(44)55(35-14-6-5-7-15-35)43-18-9-11-20-45(43)56;1-7-8-15-35(2)56-43-17-9-11-19-45(43)57(46-20-12-10-18-44(46)56)39-24-27-41-40-26-22-37(31-52(40)59(3,4)53(41)32-39)36-25-29-51-49(30-36)47-28-23-38-33-55-50(34-48(38)58(47)60(51,5)6)42-16-13-14-21-54(42)61-55;1-7-8-15-35(2)55-40-16-9-11-18-42(40)56(43-19-12-10-17-41(43)55)38-24-30-50-48(33-38)39-25-22-37(34-52(39)59(50,3)4)36-23-29-51-49(32-36)46-27-26-44-45(58(46)60(51,5)6)28-31-54-57(44)47-20-13-14-21-53(47)61-54/h3*5-34H,1-4H3;7-34H,1-6H3;7-34H,1-2H2,3-6H3/b;;;8-7-,35-15+;15-8-
InChIKeyIDFZJEQBYWDOME-SYEXWCSZSA-N
MW3981.36 g/mol
LogP86.04
Rot. Bonds18

About 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene

7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 158665053) has the molecular formula C300H216S5 and a molecular weight of 3981.36 g/mol. Its IUPAC name is 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Name7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
PubChem CID158665053
Molecular FormulaC300H216S5
Molecular Weight3981.36 g/mol
Exact Mass3977.55
IUPAC Name7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
SMILESC/C=C\C=C(/C)c1c2ccccc2c(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4ccc6cc7sc8ccccc8c7cc6c4C5(C)C)ccc2-3)c2ccccc12.C=C/C=C\C(=C)c1c2ccccc2c(-c2ccc3c(c2)-c2ccc(-c4ccc5c(c4)-c4ccc6c(ccc7sc8ccccc8c76)c4C5(C)C)cc2C3(C)C)c2ccccc12.CC1(C)c2cc(-c3ccc4c(c3)-c3ccc5c(ccc6c7ccccc7sc56)c3C4(C)C)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4c(c3)-c3ccc5cc6c(cc5c3C4(C)C)sc3ccccc36)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3c-4c4c5ccccc5sc4c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/3C60H42S.C60H46S.C60H44S/c1-59(2)49-32-36(37-27-31-47-51(33-37)60(3,4)57-45-22-12-13-23-46(45)58-56(55(47)57)48-24-14-15-25-52(48)61-58)26-29-39(49)40-30-28-38(34-50(40)59)54-43-20-10-8-18-41(43)53(35-16-6-5-7-17-35)42-19-9-11-21-44(42)54;1-59(2)52-32-37(36-25-29-51-49(30-36)47-28-23-38-31-50-42-16-12-13-21-54(42)61-55(50)34-48(38)58(47)60(51,3)4)22-26-40(52)41-27-24-39(33-53(41)59)57-45-19-10-8-17-43(45)56(35-14-6-5-7-15-35)44-18-9-11-20-46(44)57;1-59(2)52-33-37(36-24-31-51-50(32-36)47-28-30-49-46(57(47)60(51,3)4)27-29-48-41-16-12-13-21-54(41)61-58(48)49)22-25-39(52)40-26-23-38(34-53(40)59)56-44-19-10-8-17-42(44)55(35-14-6-5-7-15-35)43-18-9-11-20-45(43)56;1-7-8-15-35(2)56-43-17-9-11-19-45(43)57(46-20-12-10-18-44(46)56)39-24-27-41-40-26-22-37(31-52(40)59(3,4)53(41)32-39)36-25-29-51-49(30-36)47-28-23-38-33-55-50(34-48(38)58(47)60(51,5)6)42-16-13-14-21-54(42)61-55;1-7-8-15-35(2)55-40-16-9-11-18-42(40)56(43-19-12-10-17-41(43)55)38-24-30-50-48(33-38)39-25-22-37(34-52(39)59(50,3)4)36-23-29-51-49(32-36)46-27-26-44-45(58(46)60(51,5)6)28-31-54-57(44)47-20-13-14-21-53(47)61-54/h3*5-34H,1-4H3;7-34H,1-6H3;7-34H,1-2H2,3-6H3/b;;;8-7-,35-15+;15-8-
InChIKeyIDFZJEQBYWDOME-SYEXWCSZSA-N
XLogP86.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms305
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003981.36
LogP ≤ 586.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene (CID 158665053) is 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene is C/C=C\C=C(/C)c1c2ccccc2c(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)-c4ccc6cc7sc8ccccc8c7cc6c4C5(C)C)ccc2-3)c2ccccc12.C=C/C=C\C(=C)c1c2ccccc2c(-c2ccc3c(c2)-c2ccc(-c4ccc5c(c4)-c4ccc6c(ccc7sc8ccccc8c76)c4C5(C)C)cc2C3(C)C)c2ccccc12.CC1(C)c2cc(-c3ccc4c(c3)-c3ccc5c(ccc6c7ccccc7sc56)c3C4(C)C)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4c(c3)-c3ccc5cc6c(cc5c3C4(C)C)sc3ccccc36)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3c-4c4c5ccccc5sc4c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is IDFZJEQBYWDOME-SYEXWCSZSA-N. The full InChI is InChI=1S/3C60H42S.C60H46S.C60H44S/c1-59(2)49-32-36(37-27-31-47-51(33-37)60(3,4)57-45-22-12-13-23-46(45)58-56(55(47)57)48-24-14-15-25-52(48)61-58)26-29-39(49)40-30-28-38(34-50(40)59)54-43-20-10-8-18-41(43)53(35-16-6-5-7-17-35)42-19-9-11-21-44(42)54;1-59(2)52-32-37(36-25-29-51-49(30-36)47-28-23-38-31-50-42-16-12-13-21-54(42)61-55(50)34-48(38)58(47)60(51,3)4)22-26-40(52)41-27-24-39(33-53(41)59)57-45-19-10-8-17-43(45)56(35-14-6-5-7-15-35)44-18-9-11-20-46(44)57;1-59(2)52-33-37(36-24-31-51-50(32-36)47-28-30-49-46(57(47)60(51,3)4)27-29-48-41-16-12-13-21-54(41)61-58(48)49)22-25-39(52)40-26-23-38(34-53(40)59)56-44-19-10-8-17-42(44)55(35-14-6-5-7-15-35)43-18-9-11-20-45(43)56;1-7-8-15-35(2)56-43-17-9-11-19-45(43)57(46-20-12-10-18-44(46)56)39-24-27-41-40-26-22-37(31-52(40)59(3,4)53(41)32-39)36-25-29-51-49(30-36)47-28-23-38-33-55-50(34-48(38)58(47)60(51,5)6)42-16-13-14-21-54(42)61-55;1-7-8-15-35(2)55-40-16-9-11-18-42(40)56(43-19-12-10-17-41(43)55)38-24-30-50-48(33-38)39-25-22-37(34-52(39)59(50,3)4)36-23-29-51-49(32-36)46-27-26-44-45(58(46)60(51,5)6)28-31-54-57(44)47-20-13-14-21-53(47)61-54/h3*5-34H,1-4H3;7-34H,1-6H3;7-34H,1-2H2,3-6H3/b;;;8-7-,35-15+;15-8-.
What are the key properties of 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 3981.36 g/mol, XLogP of 86.04, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3,3-dimethyl-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;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-15,15-dimethyl-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene;21-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-18,18-dimethyl-9-thiahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaene;7-[7-[10-[(2E,4Z)-hexa-2,4-dien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-3,3-dimethyl-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene;19-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]-9,9-dimethylfluoren-2-yl]-15,15-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 158665053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).