4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline

C243H159N7OS — CID 160966632

IUPAC4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cc(-c6ccccc6)ccc54)cc3)c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)-c2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc2C32c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3C43c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4-c4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc43)cc2)cc1
InChIInChI=1S/C97H64N4.C79H52N2O.C67H43NS/c1-7-25-71(26-8-1)98(72-27-9-2-10-28-72)77-53-45-65(46-54-77)79-39-23-41-89-95(79)85-61-67(69-49-57-83-81-37-19-21-43-91(81)100(93(83)63-69)75-33-15-5-16-34-75)51-59-87(85)97(89)88-60-52-68(70-50-58-84-82-38-20-22-44-92(82)101(94(84)64-70)76-35-17-6-18-36-76)62-86(88)96-80(40-24-42-90(96)97)66-47-55-78(56-48-66)99(73-29-11-3-12-30-73)74-31-13-4-14-32-74;1-6-20-53(21-7-1)56-41-48-71-69(50-56)77-65(54-36-43-63(44-37-54)80(59-22-8-2-9-23-59)60-24-10-3-11-25-60)31-18-33-73(77)79(71)72-49-42-57(58-40-47-68-67-30-16-17-35-75(67)82-76(68)52-58)51-70(72)78-66(32-19-34-74(78)79)55-38-45-64(46-39-55)81(61-26-12-4-13-27-61)62-28-14-5-15-29-62;1-3-13-44(14-4-1)46-23-32-52(33-24-46)68(54-36-27-48(28-37-54)51-29-38-58-57-19-9-12-22-65(57)69-66(58)43-51)53-34-25-47(26-35-53)50-31-40-64-60(42-50)56-18-8-11-21-62(56)67(64)61-20-10-7-17-55(61)59-41-49(30-39-63(59)67)45-15-5-2-6-16-45/h1-64H;1-52H;1-43H
InChIKeySXSCIBNYSIOGSO-UHFFFAOYSA-N
MW3225.06 g/mol
LogP65.90
Rot. Bonds29

About 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline

4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline (PubChem CID 160966632) has the molecular formula C243H159N7OS and a molecular weight of 3225.06 g/mol. Its IUPAC name is 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline.

Molecular Properties

Compound Name4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline
PubChem CID160966632
Molecular FormulaC243H159N7OS
Molecular Weight3225.06 g/mol
Exact Mass3222.23
IUPAC Name4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cc(-c6ccccc6)ccc54)cc3)c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)-c2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc2C32c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3C43c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4-c4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc43)cc2)cc1
InChIInChI=1S/C97H64N4.C79H52N2O.C67H43NS/c1-7-25-71(26-8-1)98(72-27-9-2-10-28-72)77-53-45-65(46-54-77)79-39-23-41-89-95(79)85-61-67(69-49-57-83-81-37-19-21-43-91(81)100(93(83)63-69)75-33-15-5-16-34-75)51-59-87(85)97(89)88-60-52-68(70-50-58-84-82-38-20-22-44-92(82)101(94(84)64-70)76-35-17-6-18-36-76)62-86(88)96-80(40-24-42-90(96)97)66-47-55-78(56-48-66)99(73-29-11-3-12-30-73)74-31-13-4-14-32-74;1-6-20-53(21-7-1)56-41-48-71-69(50-56)77-65(54-36-43-63(44-37-54)80(59-22-8-2-9-23-59)60-24-10-3-11-25-60)31-18-33-73(77)79(71)72-49-42-57(58-40-47-68-67-30-16-17-35-75(67)82-76(68)52-58)51-70(72)78-66(32-19-34-74(78)79)55-38-45-64(46-39-55)81(61-26-12-4-13-27-61)62-28-14-5-15-29-62;1-3-13-44(14-4-1)46-23-32-52(33-24-46)68(54-36-27-48(28-37-54)51-29-38-58-57-19-9-12-22-65(57)69-66(58)43-51)53-34-25-47(26-35-53)50-31-40-64-60(42-50)56-18-8-11-21-62(56)67(64)61-20-10-7-17-55(61)59-41-49(30-39-63(59)67)45-15-5-2-6-16-45/h1-64H;1-52H;1-43H
InChIKeySXSCIBNYSIOGSO-UHFFFAOYSA-N
XLogP65.90
TPSA39.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms252
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003225.06
LogP ≤ 565.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline with MolForge

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Related Compounds

N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161079248
4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-3-ylphenyl)aniline;9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;4-(9-phenylcarbazol-3-yl)-N,N-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 159135474
N,N-diphenyl-4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]aniline;N,9-diphenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]carbazol-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 160866255
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425002
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425052
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 147244332
N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]dibenzofuran-3-amine
CID 157487069
2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazine
CID 159236238
4-[3-(4-carbazol-9-ylphenyl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl]-N,N-diphenylaniline
CID 134530053
N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
CID 165083383
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
N,N-bis(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 159835426

Frequently Asked Questions

What is the IUPAC name of 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline?
The IUPAC name of 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline (CID 160966632) is 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline.
What is the SMILES notation for 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline?
The canonical SMILES for 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cc(-c6ccccc6)ccc54)cc3)c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)-c2c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc2C32c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3C43c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4-c4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cccc43)cc2)cc1.
What is the InChIKey of 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline?
The InChIKey is SXSCIBNYSIOGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H64N4.C79H52N2O.C67H43NS/c1-7-25-71(26-8-1)98(72-27-9-2-10-28-72)77-53-45-65(46-54-77)79-39-23-41-89-95(79)85-61-67(69-49-57-83-81-37-19-21-43-91(81)100(93(83)63-69)75-33-15-5-16-34-75)51-59-87(85)97(89)88-60-52-68(70-50-58-84-82-38-20-22-44-92(82)101(94(84)64-70)76-35-17-6-18-36-76)62-86(88)96-80(40-24-42-90(96)97)66-47-55-78(56-48-66)99(73-29-11-3-12-30-73)74-31-13-4-14-32-74;1-6-20-53(21-7-1)56-41-48-71-69(50-56)77-65(54-36-43-63(44-37-54)80(59-22-8-2-9-23-59)60-24-10-3-11-25-60)31-18-33-73(77)79(71)72-49-42-57(58-40-47-68-67-30-16-17-35-75(67)82-76(68)52-58)51-70(72)78-66(32-19-34-74(78)79)55-38-45-64(46-39-55)81(61-26-12-4-13-27-61)62-28-14-5-15-29-62;1-3-13-44(14-4-1)46-23-32-52(33-24-46)68(54-36-27-48(28-37-54)51-29-38-58-57-19-9-12-22-65(57)69-66(58)43-51)53-34-25-47(26-35-53)50-31-40-64-60(42-50)56-18-8-11-21-62(56)67(64)61-20-10-7-17-55(61)59-41-49(30-39-63(59)67)45-15-5-2-6-16-45/h1-64H;1-52H;1-43H.
What are the key properties of 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline?
4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline has a molecular weight of 3225.06 g/mol, XLogP of 65.90, 29 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3'-dibenzofuran-3-yl-6-phenyl-5'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-N,N-diphenylaniline;N-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-N-[4-(3-phenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]aniline;N,N-diphenyl-4-[5'-[4-(N-phenylanilino)phenyl]-3',6-bis(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-4-yl]aniline is sourced from PubChem (CID 160966632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).