2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine

C350H229F7N8O6 — CID 158288422

IUPAC2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine
SMILESCC(C)(C)c1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc56)cc34)c3ccccc23)cc(C(C)(C)C)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6ccc(C(F)(F)F)cc6)c6ccccc56)cc34)c3ccccc23)cc1.Fc1cccc(F)c1-c1c2ccccc2c(-c2ccc3c(c2)oc2ccc(-c4c5ccccc5c(-c5c(F)cccc5F)c5ccccc45)cc23)c2ccccc12.N#Cc1ccccc1-c1c2ccccc2c(-c2ccc3c(c2)oc2ccc(-c4c5ccccc5c(-c5ccccc5C#N)c5ccccc45)cc23)c2ccccc12.c1cncc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)cc34)c3ccccc23)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6c7ccccc7c(-c7cc(-c8cccnc8)cc(-c8cccnc8)c7)c7ccccc67)cc45)c4ccccc34)c2)c1
InChIInChI=1S/C72H44N4O.C68H64O.C54H33F3O.C54H30N2O.C52H28F4O.C50H30N2O/c1-5-21-62-58(17-1)69(59-18-2-6-22-63(59)71(62)55-35-51(47-13-9-29-73-41-47)33-52(36-55)48-14-10-30-74-42-48)45-26-28-67-66(39-45)57-27-25-46(40-68(57)77-67)70-60-19-3-7-23-64(60)72(65-24-8-4-20-61(65)70)56-37-53(49-15-11-31-75-43-49)34-54(38-56)50-16-12-32-76-44-50;1-65(2,3)45-33-43(34-46(39-45)66(4,5)6)63-54-25-17-13-21-50(54)61(51-22-14-18-26-55(51)63)41-30-32-59-58(37-41)49-31-29-42(38-60(49)69-59)62-52-23-15-19-27-56(52)64(57-28-20-16-24-53(57)62)44-35-47(67(7,8)9)40-48(36-44)68(10,11)12;1-32-18-20-33(21-19-32)50-41-12-4-8-16-45(41)53(46-17-9-5-13-42(46)50)36-24-28-38-47-30-35(25-29-48(47)58-49(38)31-36)52-43-14-6-2-10-39(43)51(40-11-3-7-15-44(40)52)34-22-26-37(27-23-34)54(55,56)57;55-31-35-13-1-3-15-37(35)53-44-21-9-5-17-40(44)51(41-18-6-10-22-45(41)53)33-26-28-49-48(29-33)39-27-25-34(30-50(39)57-49)52-42-19-7-11-23-46(42)54(47-24-12-8-20-43(47)52)38-16-4-2-14-36(38)32-56;53-41-19-9-20-42(54)51(41)49-36-15-5-1-11-32(36)47(33-12-2-6-16-37(33)49)29-24-26-45-40(27-29)31-25-23-30(28-46(31)57-45)48-34-13-3-7-17-38(34)50(39-18-8-4-14-35(39)48)52-43(55)21-10-22-44(52)56;1-5-17-40-36(13-1)47(37-14-2-6-18-41(37)49(40)33-11-9-25-51-29-33)31-22-24-45-44(27-31)35-23-21-32(28-46(35)53-45)48-38-15-3-7-19-42(38)50(34-12-10-26-52-30-34)43-20-8-4-16-39(43)48/h1-44H;13-40H,1-12H3;2-31H,1H3;1-30H;1-28H;1-30H
InChIKeyGLBIUKQYZYLIOV-UHFFFAOYSA-N
MW4775.72 g/mol
LogP99.06
Rot. Bonds28

About 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine

2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine (PubChem CID 158288422) has the molecular formula C350H229F7N8O6 and a molecular weight of 4775.72 g/mol. Its IUPAC name is 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine
PubChem CID158288422
Molecular FormulaC350H229F7N8O6
Molecular Weight4775.72 g/mol
Exact Mass4771.77
IUPAC Name2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine
SMILESCC(C)(C)c1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc56)cc34)c3ccccc23)cc(C(C)(C)C)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6ccc(C(F)(F)F)cc6)c6ccccc56)cc34)c3ccccc23)cc1.Fc1cccc(F)c1-c1c2ccccc2c(-c2ccc3c(c2)oc2ccc(-c4c5ccccc5c(-c5c(F)cccc5F)c5ccccc45)cc23)c2ccccc12.N#Cc1ccccc1-c1c2ccccc2c(-c2ccc3c(c2)oc2ccc(-c4c5ccccc5c(-c5ccccc5C#N)c5ccccc45)cc23)c2ccccc12.c1cncc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)cc34)c3ccccc23)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6c7ccccc7c(-c7cc(-c8cccnc8)cc(-c8cccnc8)c7)c7ccccc67)cc45)c4ccccc34)c2)c1
InChIInChI=1S/C72H44N4O.C68H64O.C54H33F3O.C54H30N2O.C52H28F4O.C50H30N2O/c1-5-21-62-58(17-1)69(59-18-2-6-22-63(59)71(62)55-35-51(47-13-9-29-73-41-47)33-52(36-55)48-14-10-30-74-42-48)45-26-28-67-66(39-45)57-27-25-46(40-68(57)77-67)70-60-19-3-7-23-64(60)72(65-24-8-4-20-61(65)70)56-37-53(49-15-11-31-75-43-49)34-54(38-56)50-16-12-32-76-44-50;1-65(2,3)45-33-43(34-46(39-45)66(4,5)6)63-54-25-17-13-21-50(54)61(51-22-14-18-26-55(51)63)41-30-32-59-58(37-41)49-31-29-42(38-60(49)69-59)62-52-23-15-19-27-56(52)64(57-28-20-16-24-53(57)62)44-35-47(67(7,8)9)40-48(36-44)68(10,11)12;1-32-18-20-33(21-19-32)50-41-12-4-8-16-45(41)53(46-17-9-5-13-42(46)50)36-24-28-38-47-30-35(25-29-48(47)58-49(38)31-36)52-43-14-6-2-10-39(43)51(40-11-3-7-15-44(40)52)34-22-26-37(27-23-34)54(55,56)57;55-31-35-13-1-3-15-37(35)53-44-21-9-5-17-40(44)51(41-18-6-10-22-45(41)53)33-26-28-49-48(29-33)39-27-25-34(30-50(39)57-49)52-42-19-7-11-23-46(42)54(47-24-12-8-20-43(47)52)38-16-4-2-14-36(38)32-56;53-41-19-9-20-42(54)51(41)49-36-15-5-1-11-32(36)47(33-12-2-6-16-37(33)49)29-24-26-45-40(27-29)31-25-23-30(28-46(31)57-45)48-34-13-3-7-17-38(34)50(39-18-8-4-14-35(39)48)52-43(55)21-10-22-44(52)56;1-5-17-40-36(13-1)47(37-14-2-6-18-41(37)49(40)33-11-9-25-51-29-33)31-22-24-45-44(27-31)35-23-21-32(28-46(35)53-45)48-38-15-3-7-19-42(38)50(34-12-10-26-52-30-34)43-20-8-4-16-39(43)48/h1-44H;13-40H,1-12H3;2-31H,1H3;1-30H;1-28H;1-30H
InChIKeyGLBIUKQYZYLIOV-UHFFFAOYSA-N
XLogP99.06
TPSA203.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms371
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004775.72
LogP ≤ 599.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine with MolForge

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Related Compounds

2-[4-[2-[4-[3-[4-(2-Benzoyl-4-methylphenyl)-2-(4-pyridin-2-yloxybenzoyl)phenyl]-2-cyanophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-6-methylbenzonitrile
CID 89475985
2-[4-[2-[4-[3-[4-(3-Benzoyl-4-methylphenyl)-3-(4-pyridin-2-yloxybenzoyl)phenyl]-2-cyanophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-6-methylbenzonitrile
CID 118503761
2-[3-Dibenzofuran-4-yl-4-[2-[3-[2-[2-dibenzofuran-4-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319870
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319985
2-[3-Dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153320037
4-[3,5-Bis[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(2,4,6-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine;4-[3,5-bis[8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-8-(3,4,5-trifluorophenyl)-[1]benzofuro[3,2-b]pyridine
CID 157150281
8-[2-[2-[3-Methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-4-[4-[8-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4-[4-[8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-4-[4-[8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 157196051
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422
bis(iridium);methanol;2-(9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl)pyridine;2-naphtho[2,1-b][1]benzofuran-8-ylpyridine;bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);trifluoromethanesulfonic acid
CID 157343932
CID 157345472
CID 157345472
carbanide;bis(iridium);methane;methanol;bis(2-phenylpyridine);6-pyridin-2-yl-3-(trideuteriomethyl)dibenzofuran-4-carbonitrile;6-pyridin-2-yl-3-(trideuteriomethyl)-7H-dibenzofuran-7-ide-4-carbonitrile;trifluoromethanesulfonoperoxoic acid
CID 157367658
CID 157370279
CID 157370279

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine?
The IUPAC name of 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine (CID 158288422) is 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine.
What is the SMILES notation for 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine?
The canonical SMILES for 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine is CC(C)(C)c1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc56)cc34)c3ccccc23)cc(C(C)(C)C)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6ccc(C(F)(F)F)cc6)c6ccccc56)cc34)c3ccccc23)cc1.Fc1cccc(F)c1-c1c2ccccc2c(-c2ccc3c(c2)oc2ccc(-c4c5ccccc5c(-c5c(F)cccc5F)c5ccccc45)cc23)c2ccccc12.N#Cc1ccccc1-c1c2ccccc2c(-c2ccc3c(c2)oc2ccc(-c4c5ccccc5c(-c5ccccc5C#N)c5ccccc45)cc23)c2ccccc12.c1cncc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc(-c5c6ccccc6c(-c6cccnc6)c6ccccc56)cc34)c3ccccc23)c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6c7ccccc7c(-c7cc(-c8cccnc8)cc(-c8cccnc8)c7)c7ccccc67)cc45)c4ccccc34)c2)c1.
What is the InChIKey of 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine?
The InChIKey is GLBIUKQYZYLIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N4O.C68H64O.C54H33F3O.C54H30N2O.C52H28F4O.C50H30N2O/c1-5-21-62-58(17-1)69(59-18-2-6-22-63(59)71(62)55-35-51(47-13-9-29-73-41-47)33-52(36-55)48-14-10-30-74-42-48)45-26-28-67-66(39-45)57-27-25-46(40-68(57)77-67)70-60-19-3-7-23-64(60)72(65-24-8-4-20-61(65)70)56-37-53(49-15-11-31-75-43-49)34-54(38-56)50-16-12-32-76-44-50;1-65(2,3)45-33-43(34-46(39-45)66(4,5)6)63-54-25-17-13-21-50(54)61(51-22-14-18-26-55(51)63)41-30-32-59-58(37-41)49-31-29-42(38-60(49)69-59)62-52-23-15-19-27-56(52)64(57-28-20-16-24-53(57)62)44-35-47(67(7,8)9)40-48(36-44)68(10,11)12;1-32-18-20-33(21-19-32)50-41-12-4-8-16-45(41)53(46-17-9-5-13-42(46)50)36-24-28-38-47-30-35(25-29-48(47)58-49(38)31-36)52-43-14-6-2-10-39(43)51(40-11-3-7-15-44(40)52)34-22-26-37(27-23-34)54(55,56)57;55-31-35-13-1-3-15-37(35)53-44-21-9-5-17-40(44)51(41-18-6-10-22-45(41)53)33-26-28-49-48(29-33)39-27-25-34(30-50(39)57-49)52-42-19-7-11-23-46(42)54(47-24-12-8-20-43(47)52)38-16-4-2-14-36(38)32-56;53-41-19-9-20-42(54)51(41)49-36-15-5-1-11-32(36)47(33-12-2-6-16-37(33)49)29-24-26-45-40(27-29)31-25-23-30(28-46(31)57-45)48-34-13-3-7-17-38(34)50(39-18-8-4-14-35(39)48)52-43(55)21-10-22-44(52)56;1-5-17-40-36(13-1)47(37-14-2-6-18-41(37)49(40)33-11-9-25-51-29-33)31-22-24-45-44(27-31)35-23-21-32(28-46(35)53-45)48-38-15-3-7-19-42(38)50(34-12-10-26-52-30-34)43-20-8-4-16-39(43)48/h1-44H;13-40H,1-12H3;2-31H,1H3;1-30H;1-28H;1-30H.
What are the key properties of 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine?
2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine has a molecular weight of 4775.72 g/mol, XLogP of 99.06, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine is sourced from PubChem (CID 158288422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).