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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine

C356H270N22O4 — CID 157160479

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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
SMILESCC(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.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C85H66N6O2.C73H52N4.C53H44N4.C52H36N2.C49H40N4O2.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;1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60;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;1-47(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;1-3-15-39(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;1-52H;7-32H,1-6H3;1-36H;7-28H,1-6H3;1-32H
InChIKeyAMHUDPXPWKBWFV-UHFFFAOYSA-N
MW4920.23 g/mol
LogP94.68
Rot. Bonds46

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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine (PubChem CID 157160479) has the molecular formula C356H270N22O4 and a molecular weight of 4920.23 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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
PubChem CID157160479
Molecular FormulaC356H270N22O4
Molecular Weight4920.23 g/mol
Exact Mass4916.16
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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
SMILESCC(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.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/C85H66N6O2.C73H52N4.C53H44N4.C52H36N2.C49H40N4O2.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;1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60;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;1-47(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;1-3-15-39(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;1-52H;7-32H,1-6H3;1-36H;7-28H,1-6H3;1-32H
InChIKeyAMHUDPXPWKBWFV-UHFFFAOYSA-N
XLogP94.68
TPSA239.64 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds46
Heavy Atoms382
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004920.23
LogP ≤ 594.68
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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine (CID 157160479) 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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine is 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.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?
The InChIKey is AMHUDPXPWKBWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H66N6O2.C73H52N4.C53H44N4.C52H36N2.C49H40N4O2.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;1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60;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;1-47(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;1-3-15-39(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;1-52H;7-32H,1-6H3;1-36H;7-28H,1-6H3;1-32H.
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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine has a molecular weight of 4920.23 g/mol, XLogP of 94.68, 46 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;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;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 157160479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).