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

C353H248N12O6 — CID 160625053

IUPAC2-(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
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)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(OC)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(OC)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.C49H40N4O2/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;1-78-65-33-21-53(22-34-65)49-5-13-57(14-6-49)61-29-41-69-70-42-30-62(58-15-7-50(8-16-58)54-23-35-66(79-2)36-24-54)46-74(70)77(73(69)45-61)75-47-63(59-17-9-51(10-18-59)55-25-37-67(80-3)38-26-55)31-43-71(75)72-44-32-64(48-76(72)77)60-19-11-52(12-20-60)56-27-39-68(81-4)40-28-56;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)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/h1-56H;5-48H,1-4H3;1-44H;1-52H;7-28H,1-6H3
InChIKeyRHEPWJRZMRFBOS-UHFFFAOYSA-N
MW4753.94 g/mol
LogP90.17
Rot. Bonds44

About 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

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 (PubChem CID 160625053) has the molecular formula C353H248N12O6 and a molecular weight of 4753.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160625053
Molecular FormulaC353H248N12O6
Molecular Weight4753.94 g/mol
Exact Mass4749.95
IUPAC Name2-(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
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)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(OC)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(OC)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.C49H40N4O2/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;1-78-65-33-21-53(22-34-65)49-5-13-57(14-6-49)61-29-41-69-70-42-30-62(58-15-7-50(8-16-58)54-23-35-66(79-2)36-24-54)46-74(70)77(73(69)45-61)75-47-63(59-17-9-51(10-18-59)55-25-37-67(80-3)38-26-55)31-43-71(75)72-44-32-64(48-76(72)77)60-19-11-52(12-20-60)56-27-39-68(81-4)40-28-56;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)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/h1-56H;5-48H,1-4H3;1-44H;1-52H;7-28H,1-6H3
InChIKeyRHEPWJRZMRFBOS-UHFFFAOYSA-N
XLogP90.17
TPSA147.44 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds44
Heavy Atoms371
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004753.94
LogP ≤ 590.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

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
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
2,8-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-[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
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
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
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
bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 157386600
N-(4-tert-butylphenyl)-7-[(E)-2-(4-tert-butylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-N-[4-(trifluoromethyl)phenyl]spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 162601185
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)c4ccccc4-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc43)o2)cc1.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(OC)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(OC)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-(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?
The InChIKey is RHEPWJRZMRFBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H56.C77H56O4.C73H44N4.C73H52N4.C49H40N4O2/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;1-78-65-33-21-53(22-34-65)49-5-13-57(14-6-49)61-29-41-69-70-42-30-62(58-15-7-50(8-16-58)54-23-35-66(79-2)36-24-54)46-74(70)77(73(69)45-61)75-47-63(59-17-9-51(10-18-59)55-25-37-67(80-3)38-26-55)31-43-71(75)72-44-32-64(48-76(72)77)60-19-11-52(12-20-60)56-27-39-68(81-4)40-28-56;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)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/h1-56H;5-48H,1-4H3;1-44H;1-52H;7-28H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 4753.94 g/mol, XLogP of 90.17, 44 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160625053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).