4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine

C379H300N22O4 — CID 157376657

IUPAC4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
SMILESC=C/C=C\c1cccc(C)c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cnc(-c6ccc(C(C)(C)C)cc6)nc5)ccc3-4)cn2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5-4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C85H66N6O2.C53H44N4.C52H36N2.C50H44N2.C49H40N4O2.C46H38N2.C44H32N2/c1-83(2,3)63-39-27-57(28-40-63)79-86-88-81(92-79)61-37-49-73-71-47-35-59(55-31-43-69(44-32-55)90(65-19-11-7-12-20-65)66-21-13-8-14-22-66)51-75(71)85(77(73)53-61)76-52-60(56-33-45-70(46-34-56)91(67-23-15-9-16-24-67)68-25-17-10-18-26-68)36-48-72(76)74-50-38-62(54-78(74)85)82-89-87-80(93-82)58-29-41-64(42-30-58)84(4,5)6;1-51(2,3)39-21-15-33(16-22-39)49-54-29-37(30-55-49)35-19-25-43-44-26-20-36(38-31-56-50(57-32-38)34-17-23-40(24-18-34)52(4,5)6)28-48(44)53(47(43)27-35)45-13-9-7-11-41(45)42-12-8-10-14-46(42)53;1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52;1-33-15-23-39(24-16-33)51(40-25-17-34(2)18-26-40)49-37(5)31-47(43-11-7-9-13-45(43)49)48-32-38(6)50(46-14-10-8-12-44(46)48)52(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-4-5-16-39-18-14-15-34(2)45(39)47(40-19-8-6-9-20-40)42-30-26-36(27-31-42)37-28-32-43(33-29-37)48(41-21-10-7-11-22-41)46-35(3)24-25-38-17-12-13-23-44(38)46;1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h7-54H,1-6H3;7-32H,1-6H3;1-36H;7-32H,1-6H3;7-28H,1-6H3;4-33H,1H2,2-3H3;1-32H/b;;;;;16-5-;
InChIKeyBKKBRKSAQMYBSW-JJJNYQNZSA-N
MW5226.72 g/mol
LogP102.48
Rot. Bonds50

About 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine

4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine (PubChem CID 157376657) has the molecular formula C379H300N22O4 and a molecular weight of 5226.72 g/mol. Its IUPAC name is 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine.

Molecular Properties

Compound Name4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
PubChem CID157376657
Molecular FormulaC379H300N22O4
Molecular Weight5226.72 g/mol
Exact Mass5222.39
IUPAC Name4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
SMILESC=C/C=C\c1cccc(C)c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cnc(-c6ccc(C(C)(C)C)cc6)nc5)ccc3-4)cn2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5-4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C85H66N6O2.C53H44N4.C52H36N2.C50H44N2.C49H40N4O2.C46H38N2.C44H32N2/c1-83(2,3)63-39-27-57(28-40-63)79-86-88-81(92-79)61-37-49-73-71-47-35-59(55-31-43-69(44-32-55)90(65-19-11-7-12-20-65)66-21-13-8-14-22-66)51-75(71)85(77(73)53-61)76-52-60(56-33-45-70(46-34-56)91(67-23-15-9-16-24-67)68-25-17-10-18-26-68)36-48-72(76)74-50-38-62(54-78(74)85)82-89-87-80(93-82)58-29-41-64(42-30-58)84(4,5)6;1-51(2,3)39-21-15-33(16-22-39)49-54-29-37(30-55-49)35-19-25-43-44-26-20-36(38-31-56-50(57-32-38)34-17-23-40(24-18-34)52(4,5)6)28-48(44)53(47(43)27-35)45-13-9-7-11-41(45)42-12-8-10-14-46(42)53;1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52;1-33-15-23-39(24-16-33)51(40-25-17-34(2)18-26-40)49-37(5)31-47(43-11-7-9-13-45(43)49)48-32-38(6)50(46-14-10-8-12-44(46)48)52(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-4-5-16-39-18-14-15-34(2)45(39)47(40-19-8-6-9-20-40)42-30-26-36(27-31-42)37-28-32-43(33-29-37)48(41-21-10-7-11-22-41)46-35(3)24-25-38-17-12-13-23-44(38)46;1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h7-54H,1-6H3;7-32H,1-6H3;1-36H;7-32H,1-6H3;7-28H,1-6H3;4-33H,1H2,2-3H3;1-32H/b;;;;;16-5-;
InChIKeyBKKBRKSAQMYBSW-JJJNYQNZSA-N
XLogP102.48
TPSA239.64 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms405
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005226.72
LogP ≤ 5102.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?
The IUPAC name of 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine (CID 157376657) is 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine.
What is the SMILES notation for 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?
The canonical SMILES for 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine is C=C/C=C\c1cccc(C)c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cnc(-c6ccc(C(C)(C)C)cc6)nc5)ccc3-4)cn2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5-4)c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?
The InChIKey is BKKBRKSAQMYBSW-JJJNYQNZSA-N. The full InChI is InChI=1S/C85H66N6O2.C53H44N4.C52H36N2.C50H44N2.C49H40N4O2.C46H38N2.C44H32N2/c1-83(2,3)63-39-27-57(28-40-63)79-86-88-81(92-79)61-37-49-73-71-47-35-59(55-31-43-69(44-32-55)90(65-19-11-7-12-20-65)66-21-13-8-14-22-66)51-75(71)85(77(73)53-61)76-52-60(56-33-45-70(46-34-56)91(67-23-15-9-16-24-67)68-25-17-10-18-26-68)36-48-72(76)74-50-38-62(54-78(74)85)82-89-87-80(93-82)58-29-41-64(42-30-58)84(4,5)6;1-51(2,3)39-21-15-33(16-22-39)49-54-29-37(30-55-49)35-19-25-43-44-26-20-36(38-31-56-50(57-32-38)34-17-23-40(24-18-34)52(4,5)6)28-48(44)53(47(43)27-35)45-13-9-7-11-41(45)42-12-8-10-14-46(42)53;1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52;1-33-15-23-39(24-16-33)51(40-25-17-34(2)18-26-40)49-37(5)31-47(43-11-7-9-13-45(43)49)48-32-38(6)50(46-14-10-8-12-44(46)48)52(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42;1-47(2,3)33-21-15-29(16-22-33)43-50-52-45(54-43)31-19-25-37-35-11-7-9-13-39(35)49(41(37)27-31)40-14-10-8-12-36(40)38-26-20-32(28-42(38)49)46-53-51-44(55-46)30-17-23-34(24-18-30)48(4,5)6;1-4-5-16-39-18-14-15-34(2)45(39)47(40-19-8-6-9-20-40)42-30-26-36(27-31-42)37-28-32-43(33-29-37)48(41-21-10-7-11-22-41)46-35(3)24-25-38-17-12-13-23-44(38)46;1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h7-54H,1-6H3;7-32H,1-6H3;1-36H;7-32H,1-6H3;7-28H,1-6H3;4-33H,1H2,2-3H3;1-32H/b;;;;;16-5-;.
What are the key properties of 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?
4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine has a molecular weight of 5226.72 g/mol, XLogP of 102.48, 50 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2',7-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-7'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]-N,N-diphenylaniline;N-[4-[4-(N-[2-[(1Z)-buta-1,3-dienyl]-6-methylphenyl]anilino)phenyl]phenyl]-2-methyl-N-phenylnaphthalen-1-amine;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-[7'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2'-yl]pyrimidine;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 157376657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).