2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

C353H249N13O6 — CID 159296901

IUPAC2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(C=C(c4ccccc4)c4ccccc4)ccc3-2)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N)ccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(CO)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(CO)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(OC)cc6)cc5)cc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C81H56.C77H56O4.C73H44N4.C73H52N4.C49H41N5O2/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68;1-80-67-35-27-57(28-36-67)55-15-23-61(24-16-55)65-33-41-71-69-39-31-63(59-19-11-53(12-20-59)51-7-3-49(47-78)4-8-51)43-73(69)77(75(71)45-65)74-44-64(60-21-13-54(14-22-60)52-9-5-50(48-79)6-10-52)32-40-70(74)72-42-34-66(46-76(72)77)62-25-17-56(18-26-62)58-29-37-68(81-2)38-30-58;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77;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;1-47(2,3)32-17-11-28(12-18-32)43-51-53-45(55-43)30-15-22-36-35-9-7-8-10-39(35)49(40(36)25-30)41-26-31(16-23-37(41)38-24-21-34(50)27-42(38)49)46-54-52-44(56-46)29-13-19-33(20-14-29)48(4,5)6/h1-56H;3-46,78-79H,47-48H2,1-2H3;1-44H;1-52H;7-27H,50H2,1-6H3
InChIKeyLAVKMUMSWIDFSK-UHFFFAOYSA-N
MW4768.96 g/mol
LogP88.72
Rot. Bonds44

About 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (PubChem CID 159296901) has the molecular formula C353H249N13O6 and a molecular weight of 4768.96 g/mol. Its IUPAC name is 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.

Molecular Properties

Compound Name2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
PubChem CID159296901
Molecular FormulaC353H249N13O6
Molecular Weight4768.96 g/mol
Exact Mass4764.96
IUPAC Name2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(C=C(c4ccccc4)c4ccccc4)ccc3-2)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N)ccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(CO)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(CO)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(OC)cc6)cc5)cc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C81H56.C77H56O4.C73H44N4.C73H52N4.C49H41N5O2/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68;1-80-67-35-27-57(28-36-67)55-15-23-61(24-16-55)65-33-41-71-69-39-31-63(59-19-11-53(12-20-59)51-7-3-49(47-78)4-8-51)43-73(69)77(75(71)45-65)74-44-64(60-21-13-54(14-22-60)52-9-5-50(48-79)6-10-52)32-40-70(74)72-42-34-66(46-76(72)77)62-25-17-56(18-26-62)58-29-37-68(81-2)38-30-58;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77;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;1-47(2,3)32-17-11-28(12-18-32)43-51-53-45(55-43)30-15-22-36-35-9-7-8-10-39(35)49(40(36)25-30)41-26-31(16-23-37(41)38-24-21-34(50)27-42(38)49)46-54-52-44(56-46)29-13-19-33(20-14-29)48(4,5)6/h1-56H;3-46,78-79H,47-48H2,1-2H3;1-44H;1-52H;7-27H,50H2,1-6H3
InChIKeyLAVKMUMSWIDFSK-UHFFFAOYSA-N
XLogP88.72
TPSA195.46 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms372
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004768.96
LogP ≤ 588.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole with MolForge

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Related Compounds

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-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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 160625053
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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 161131230
[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 160508928
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane
CID 139089806
2,8-bis(diphenylphosphoryl)dibenzothiophene;2,2'-bis[4-(4-methoxyphenyl)phenyl]-7,7'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene];9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 158667602
4-[(E)-2-[7'-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N,N-diphenylaniline
CID 101168890
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
7,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine;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;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-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 161348399
N-(4-tert-butylphenyl)-N-[4-[6-(4-ethenylphenoxy)-9-[4-(4-ethenylphenoxy)phenyl]carbazol-3-yl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-amine;N-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[9-[4-(4-ethenylphenoxy)phenyl]-6-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9-phenylfluoren-2-amine
CID 159443364
[4-[[6-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)-9-phenylcarbazol-3-yl]-(9-phenylcarbazol-3-yl)amino]phenyl]methanol
CID 88866500
N-(4-phenylnaphthalen-1-yl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(6-phenylnaphthalen-2-yl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-phenylphenyl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159078424

Frequently Asked Questions

What is the IUPAC name of 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The IUPAC name of 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (CID 159296901) is 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.
What is the SMILES notation for 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The canonical SMILES for 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(C=C(c4ccccc4)c4ccccc4)ccc3-2)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.CC(C)(C)c1ccc(-c2nnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4cc(N)ccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(CO)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(CO)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(OC)cc6)cc5)cc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The InChIKey is LAVKMUMSWIDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H56.C77H56O4.C73H44N4.C73H52N4.C49H41N5O2/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68;1-80-67-35-27-57(28-36-67)55-15-23-61(24-16-55)65-33-41-71-69-39-31-63(59-19-11-53(12-20-59)51-7-3-49(47-78)4-8-51)43-73(69)77(75(71)45-65)74-44-64(60-21-13-54(14-22-60)52-9-5-50(48-79)6-10-52)32-40-70(74)72-42-34-66(46-76(72)77)62-25-17-56(18-26-62)58-29-37-68(81-2)38-30-58;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77;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;1-47(2,3)32-17-11-28(12-18-32)43-51-53-45(55-43)30-15-22-36-35-9-7-8-10-39(35)49(40(36)25-30)41-26-31(16-23-37(41)38-24-21-34(50)27-42(38)49)46-54-52-44(56-46)29-13-19-33(20-14-29)48(4,5)6/h1-56H;3-46,78-79H,47-48H2,1-2H3;1-44H;1-52H;7-27H,50H2,1-6H3.
What are the key properties of 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole has a molecular weight of 4768.96 g/mol, XLogP of 88.72, 44 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7'-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2'-amine;[4-[4-[2'-[4-[4-(hydroxymethyl)phenyl]phenyl]-7,7'-bis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]methanol;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;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is sourced from PubChem (CID 159296901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).