2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C307H240O3 — CID 158654303

IUPAC2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESCC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccccc3c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/2C63H48O.C63H50.C59H46O.C59H48/c1-61(2,3)63(62(4,5)6)52-36-50(42-23-10-12-24-43(42)58(52)59-44-25-13-9-21-40(44)41-22-11-18-30-49(41)60(59)63)56-47-28-16-14-26-45(47)55(46-27-15-17-29-48(46)56)38-32-33-53-51(35-38)57-39-20-8-7-19-37(39)31-34-54(57)64-53;1-61(2,3)63(62(4,5)6)53-36-52(42-23-10-12-24-43(42)57(53)58-44-25-13-9-21-40(44)41-22-11-18-30-49(41)59(58)63)56-47-28-16-14-26-45(47)55(46-27-15-17-29-48(46)56)38-32-34-54-51(35-38)50-33-31-37-19-7-8-20-39(37)60(50)64-54;1-61(2,3)63(62(4,5)6)55-38-54(45-25-10-12-26-47(45)58(55)59-48-27-13-9-23-43(48)44-24-11-18-32-53(44)60(59)63)40-34-36-41(37-35-40)56-49-28-14-16-30-51(49)57(52-31-17-15-29-50(52)56)46-33-19-21-39-20-7-8-22-42(39)46;1-57(2,3)59(58(4,5)6)49-34-48(38-21-8-10-23-40(38)54(49)55-41-24-11-7-19-36(41)37-20-9-16-29-46(37)56(55)59)53-44-27-14-12-25-42(44)52(43-26-13-15-28-45(43)53)35-31-32-51-47(33-35)39-22-17-18-30-50(39)60-51;1-57(2,3)59(58(4,5)6)51-36-50(42-24-11-13-25-43(42)54(51)55-44-26-14-10-22-40(44)41-23-12-19-31-49(41)56(55)59)37-32-34-39(35-33-37)53-47-29-17-15-27-45(47)52(38-20-8-7-9-21-38)46-28-16-18-30-48(46)53/h2*7-36H,1-6H3;7-38H,1-6H3;7-34H,1-6H3;7-36H,1-6H3
InChIKeyIBYAQXZCEZIUFF-UHFFFAOYSA-N
MW3977.29 g/mol
LogP88.22
Rot. Bonds12

About 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 158654303) has the molecular formula C307H240O3 and a molecular weight of 3977.29 g/mol. Its IUPAC name is 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

Compound Name2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
PubChem CID158654303
Molecular FormulaC307H240O3
Molecular Weight3977.29 g/mol
Exact Mass3973.86
IUPAC Name2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
SMILESCC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccccc3c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/2C63H48O.C63H50.C59H46O.C59H48/c1-61(2,3)63(62(4,5)6)52-36-50(42-23-10-12-24-43(42)58(52)59-44-25-13-9-21-40(44)41-22-11-18-30-49(41)60(59)63)56-47-28-16-14-26-45(47)55(46-27-15-17-29-48(46)56)38-32-33-53-51(35-38)57-39-20-8-7-19-37(39)31-34-54(57)64-53;1-61(2,3)63(62(4,5)6)53-36-52(42-23-10-12-24-43(42)57(53)58-44-25-13-9-21-40(44)41-22-11-18-30-49(41)59(58)63)56-47-28-16-14-26-45(47)55(46-27-15-17-29-48(46)56)38-32-34-54-51(35-38)50-33-31-37-19-7-8-20-39(37)60(50)64-54;1-61(2,3)63(62(4,5)6)55-38-54(45-25-10-12-26-47(45)58(55)59-48-27-13-9-23-43(48)44-24-11-18-32-53(44)60(59)63)40-34-36-41(37-35-40)56-49-28-14-16-30-51(49)57(52-31-17-15-29-50(52)56)46-33-19-21-39-20-7-8-22-42(39)46;1-57(2,3)59(58(4,5)6)49-34-48(38-21-8-10-23-40(38)54(49)55-41-24-11-7-19-36(41)37-20-9-16-29-46(37)56(55)59)53-44-27-14-12-25-42(44)52(43-26-13-15-28-45(43)53)35-31-32-51-47(33-35)39-22-17-18-30-50(39)60-51;1-57(2,3)59(58(4,5)6)51-36-50(42-24-11-13-25-43(42)54(51)55-44-26-14-10-22-40(44)41-23-12-19-31-49(41)56(55)59)37-32-34-39(35-33-37)53-47-29-17-15-27-45(47)52(38-20-8-7-9-21-38)46-28-16-18-30-48(46)53/h2*7-36H,1-6H3;7-38H,1-6H3;7-34H,1-6H3;7-36H,1-6H3
InChIKeyIBYAQXZCEZIUFF-UHFFFAOYSA-N
XLogP88.22
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms310
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003977.29
LogP ≤ 588.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene with MolForge

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Related Compounds

2-[10-(25,25-ditert-butyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;3-[10-(25,25-ditert-butyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]-9-phenylcarbazole;25,25-ditert-butyl-20-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 160896110
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 167707786
10-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487523
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
25,25-ditert-butyl-22-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725430
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764
2-[10-(25,25-ditert-butyl-5-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaenyl)anthracen-9-yl]dibenzofuran
CID 121430814
9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130185320
8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 174293136
8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 158036336
5-[3-[10-naphthalen-1-yl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 163666366
8-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran;8-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 159518603

Frequently Asked Questions

What is the IUPAC name of 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The IUPAC name of 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 158654303) is 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.
What is the SMILES notation for 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The canonical SMILES for 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is CC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6c7ccccc7ccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccc7ccccc7c6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.CC(C)(C)C1(C(C)(C)C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
The InChIKey is IBYAQXZCEZIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H48O.C63H50.C59H46O.C59H48/c1-61(2,3)63(62(4,5)6)52-36-50(42-23-10-12-24-43(42)58(52)59-44-25-13-9-21-40(44)41-22-11-18-30-49(41)60(59)63)56-47-28-16-14-26-45(47)55(46-27-15-17-29-48(46)56)38-32-33-53-51(35-38)57-39-20-8-7-19-37(39)31-34-54(57)64-53;1-61(2,3)63(62(4,5)6)53-36-52(42-23-10-12-24-43(42)57(53)58-44-25-13-9-21-40(44)41-22-11-18-30-49(41)59(58)63)56-47-28-16-14-26-45(47)55(46-27-15-17-29-48(46)56)38-32-34-54-51(35-38)50-33-31-37-19-7-8-20-39(37)60(50)64-54;1-61(2,3)63(62(4,5)6)55-38-54(45-25-10-12-26-47(45)58(55)59-48-27-13-9-23-43(48)44-24-11-18-32-53(44)60(59)63)40-34-36-41(37-35-40)56-49-28-14-16-30-51(49)57(52-31-17-15-29-50(52)56)46-33-19-21-39-20-7-8-22-42(39)46;1-57(2,3)59(58(4,5)6)49-34-48(38-21-8-10-23-40(38)54(49)55-41-24-11-7-19-36(41)37-20-9-16-29-46(37)56(55)59)53-44-27-14-12-25-42(44)52(43-26-13-15-28-45(43)53)35-31-32-51-47(33-35)39-22-17-18-30-50(39)60-51;1-57(2,3)59(58(4,5)6)51-36-50(42-24-11-13-25-43(42)54(51)55-44-26-14-10-22-40(44)41-23-12-19-31-49(41)56(55)59)37-32-34-39(35-33-37)53-47-29-17-15-27-45(47)52(38-20-8-7-9-21-38)46-28-16-18-30-48(46)53/h2*7-36H,1-6H3;7-38H,1-6H3;7-34H,1-6H3;7-36H,1-6H3.
What are the key properties of 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?
2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 3977.29 g/mol, XLogP of 88.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]dibenzofuran;8-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-[10-(25,25-ditert-butyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;25,25-ditert-butyl-22-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25,25-ditert-butyl-22-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 158654303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).