5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

C240H168O4 — CID 160579473

IUPAC5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccc(-c3cccc4c3C(C)(C)c3cc5c(cc3-4)oc3ccc4ccccc4c35)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3ccc5c(oc6c7ccccc7ccc56)c3-4)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3ccc5oc6c7ccccc7ccc6c5c3-4)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3oc3c5c(ccc34)C(C)(C)c3c-5ccc4ccccc34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/4C60H42O/c1-59(2)50-31-27-37(39-23-14-24-48-55-51(60(3,4)56(39)48)32-30-47-46-29-25-35-15-8-9-18-40(35)57(46)61-58(47)55)33-49(50)41-28-26-38(34-52(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)50-31-27-37(40-23-14-24-46-47-30-32-51-55(58(47)61-57(40)46)48-29-25-35-15-8-9-18-39(35)56(48)60(51,3)4)33-49(50)41-28-26-38(34-52(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)49-30-27-37(39-23-14-24-46-55-50(60(3,4)57(39)46)31-32-52-56(55)47-29-25-35-15-8-9-18-40(35)58(47)61-52)33-48(49)41-28-26-38(34-51(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)50-29-26-37(40-23-14-24-46-48-34-54-49(33-52(48)60(3,4)58(40)46)57-39-18-9-8-15-35(39)27-30-53(57)61-54)31-47(50)41-28-25-38(32-51(41)59)56-44-21-12-10-19-42(44)55(36-16-6-5-7-17-36)43-20-11-13-22-45(43)56/h4*5-34H,1-4H3
InChIKeyRBOULOSUFZOFQX-UHFFFAOYSA-N
MW3115.98 g/mol
LogP66.64
Rot. Bonds12

About 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene (PubChem CID 160579473) has the molecular formula C240H168O4 and a molecular weight of 3115.98 g/mol. Its IUPAC name is 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
PubChem CID160579473
Molecular FormulaC240H168O4
Molecular Weight3115.98 g/mol
Exact Mass3113.29
IUPAC Name5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccc(-c3cccc4c3C(C)(C)c3cc5c(cc3-4)oc3ccc4ccccc4c35)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3ccc5c(oc6c7ccccc7ccc56)c3-4)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3ccc5oc6c7ccccc7ccc6c5c3-4)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3oc3c5c(ccc34)C(C)(C)c3c-5ccc4ccccc34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/4C60H42O/c1-59(2)50-31-27-37(39-23-14-24-48-55-51(60(3,4)56(39)48)32-30-47-46-29-25-35-15-8-9-18-40(35)57(46)61-58(47)55)33-49(50)41-28-26-38(34-52(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)50-31-27-37(40-23-14-24-46-47-30-32-51-55(58(47)61-57(40)46)48-29-25-35-15-8-9-18-39(35)56(48)60(51,3)4)33-49(50)41-28-26-38(34-52(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)49-30-27-37(39-23-14-24-46-55-50(60(3,4)57(39)46)31-32-52-56(55)47-29-25-35-15-8-9-18-40(35)58(47)61-52)33-48(49)41-28-26-38(34-51(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)50-29-26-37(40-23-14-24-46-48-34-54-49(33-52(48)60(3,4)58(40)46)57-39-18-9-8-15-35(39)27-30-53(57)61-54)31-47(50)41-28-25-38(32-51(41)59)56-44-21-12-10-19-42(44)55(36-16-6-5-7-17-36)43-20-11-13-22-45(43)56/h4*5-34H,1-4H3
InChIKeyRBOULOSUFZOFQX-UHFFFAOYSA-N
XLogP66.64
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms244
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003115.98
LogP ≤ 566.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

18-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
CID 130189677
7-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190368
18-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190369
6-(10-dibenzofuran-1-ylanthracen-9-yl)-3,3-dimethyl-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene;6-(10-dibenzofuran-1-ylanthracen-9-yl)-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;6-(10-dibenzofuran-3-ylanthracen-9-yl)-3,3-dimethyl-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene;6-(10-dibenzofuran-3-ylanthracen-9-yl)-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;19-(10-dibenzofuran-1-ylanthracen-9-yl)-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaene;19-(10-dibenzofuran-3-ylanthracen-9-yl)-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
CID 158355594
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
9,9-dimethyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130189507
9,9-dimethyl-6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130189513
5-[9,9-dimethyl-6-(10-phenylanthracen-9-yl)fluoren-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188873
9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene
CID 158339037
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130189280
5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190296
8-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-1-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-4-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[1,2,3,4,5,6,7,8-octadeuterio-10-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159456557

Frequently Asked Questions

What is the IUPAC name of 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene?
The IUPAC name of 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene (CID 160579473) is 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene?
The canonical SMILES for 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene is CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3cc5c(cc3-4)oc3ccc4ccccc4c35)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3ccc5c(oc6c7ccccc7ccc56)c3-4)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3C(C)(C)c3ccc5oc6c7ccccc7ccc6c5c3-4)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.CC1(C)c2ccc(-c3cccc4c3oc3c5c(ccc34)C(C)(C)c3c-5ccc4ccccc34)cc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene?
The InChIKey is RBOULOSUFZOFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C60H42O/c1-59(2)50-31-27-37(39-23-14-24-48-55-51(60(3,4)56(39)48)32-30-47-46-29-25-35-15-8-9-18-40(35)57(46)61-58(47)55)33-49(50)41-28-26-38(34-52(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)50-31-27-37(40-23-14-24-46-47-30-32-51-55(58(47)61-57(40)46)48-29-25-35-15-8-9-18-39(35)56(48)60(51,3)4)33-49(50)41-28-26-38(34-52(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)49-30-27-37(39-23-14-24-46-55-50(60(3,4)57(39)46)31-32-52-56(55)47-29-25-35-15-8-9-18-40(35)58(47)61-52)33-48(49)41-28-26-38(34-51(41)59)54-44-21-12-10-19-42(44)53(36-16-6-5-7-17-36)43-20-11-13-22-45(43)54;1-59(2)50-29-26-37(40-23-14-24-46-48-34-54-49(33-52(48)60(3,4)58(40)46)57-39-18-9-8-15-35(39)27-30-53(57)61-54)31-47(50)41-28-25-38(32-51(41)59)56-44-21-12-10-19-42(44)55(36-16-6-5-7-17-36)43-20-11-13-22-45(43)56/h4*5-34H,1-4H3.
What are the key properties of 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene?
5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene has a molecular weight of 3115.98 g/mol, XLogP of 66.64, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-14,14-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-22,22-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 160579473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).