9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole

C190H118N10O3S — CID 158242820

IUPAC9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)ccc2-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.c1ccc(-c2nc(-c3ccc4c(c3)c3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)ccc3n4-c3ccccc3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc21
InChIInChI=1S/C68H45N3S.C62H38N4O.C60H35N3O2/c1-67(2)57-39-43(47-25-17-29-56-65(47)52-24-6-9-26-53(52)68(56)54-27-10-14-32-63(54)72-64-33-15-11-28-55(64)68)34-36-48(57)49-37-35-44(40-58(49)67)60-41-59(42-18-4-3-5-19-42)69-66(70-60)45-20-16-21-46(38-45)71-61-30-12-7-22-50(61)51-23-8-13-31-62(51)71;1-3-18-40(19-4-1)59-63-60(65-61(64-59)46-26-15-20-39-17-7-8-23-44(39)46)42-34-36-55-49(38-42)48-37-41(33-35-54(48)66(55)43-21-5-2-6-22-43)45-25-16-30-53-58(45)47-24-9-10-27-50(47)62(53)51-28-11-13-31-56(51)67-57-32-14-12-29-52(57)62;1-3-14-38-32-42(26-24-36(38)12-1)57-61-58(43-27-25-37-13-2-4-15-39(37)33-43)63-59(62-57)46-17-11-23-55-56(46)47-34-40(29-31-52(47)64-55)41-28-30-45-44-16-5-6-18-48(44)60(51(45)35-41)49-19-7-9-21-53(49)65-54-22-10-8-20-50(54)60/h3-41H,1-2H3;1-38H;1-35H
InChIKeyGFTFRLZBXMSLEF-UHFFFAOYSA-N
MW2621.17 g/mol
LogP47.85
Rot. Bonds14

About 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole

9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole (PubChem CID 158242820) has the molecular formula C190H118N10O3S and a molecular weight of 2621.17 g/mol. Its IUPAC name is 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole.

Molecular Properties

Compound Name9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole
PubChem CID158242820
Molecular FormulaC190H118N10O3S
Molecular Weight2621.17 g/mol
Exact Mass2618.91
IUPAC Name9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)ccc2-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.c1ccc(-c2nc(-c3ccc4c(c3)c3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)ccc3n4-c3ccccc3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc21
InChIInChI=1S/C68H45N3S.C62H38N4O.C60H35N3O2/c1-67(2)57-39-43(47-25-17-29-56-65(47)52-24-6-9-26-53(52)68(56)54-27-10-14-32-63(54)72-64-33-15-11-28-55(64)68)34-36-48(57)49-37-35-44(40-58(49)67)60-41-59(42-18-4-3-5-19-42)69-66(70-60)45-20-16-21-46(38-45)71-61-30-12-7-22-50(61)51-23-8-13-31-62(51)71;1-3-18-40(19-4-1)59-63-60(65-61(64-59)46-26-15-20-39-17-7-8-23-44(39)46)42-34-36-55-49(38-42)48-37-41(33-35-54(48)66(55)43-21-5-2-6-22-43)45-25-16-30-53-58(45)47-24-9-10-27-50(47)62(53)51-28-11-13-31-56(51)67-57-32-14-12-29-52(57)62;1-3-14-38-32-42(26-24-36(38)12-1)57-61-58(43-27-25-37-13-2-4-15-39(37)33-43)63-59(62-57)46-17-11-23-55-56(46)47-34-40(29-31-52(47)64-55)41-28-30-45-44-16-5-6-18-48(44)60(51(45)35-41)49-19-7-9-21-53(49)65-54-22-10-8-20-50(54)60/h3-41H,1-2H3;1-38H;1-35H
InChIKeyGFTFRLZBXMSLEF-UHFFFAOYSA-N
XLogP47.85
TPSA144.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002621.17
LogP ≤ 547.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole with MolForge

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Related Compounds

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 129291968
2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158529955
3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 158316939
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[4-[3,5-bis(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole;9-phenyl-2-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159897971
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole;3-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole;3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 160893778
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;2,4-di(dibenzofuran-4-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 160526768
2-[3-(5-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[10-(9,9-dimethylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[10-(9,9'-spirobi[fluorene]-2-yl)triphenylen-1-yl]-1,3,5-triazine;9-naphthalen-2-yl-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole;9-(4-phenylphenyl)-3-[10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]triphenylen-1-yl]carbazole
CID 159218262
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-3-yl]-9-phenylcarbazole;3-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;9-phenyl-3-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 159210179
3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 167377389
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
CID 138577477
9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144955849

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?
The IUPAC name of 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole (CID 158242820) is 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole.
What is the SMILES notation for 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?
The canonical SMILES for 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole is CC1(C)c2cc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)n3)ccc2-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.c1ccc(-c2nc(-c3ccc4c(c3)c3cc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)ccc3n4-c3ccccc3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c5c4c3)cc21.
What is the InChIKey of 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?
The InChIKey is GFTFRLZBXMSLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N3S.C62H38N4O.C60H35N3O2/c1-67(2)57-39-43(47-25-17-29-56-65(47)52-24-6-9-26-53(52)68(56)54-27-10-14-32-63(54)72-64-33-15-11-28-55(64)68)34-36-48(57)49-37-35-44(40-58(49)67)60-41-59(42-18-4-3-5-19-42)69-66(70-60)45-20-16-21-46(38-45)71-61-30-12-7-22-50(61)51-23-8-13-31-62(51)71;1-3-18-40(19-4-1)59-63-60(65-61(64-59)46-26-15-20-39-17-7-8-23-44(39)46)42-34-36-55-49(38-42)48-37-41(33-35-54(48)66(55)43-21-5-2-6-22-43)45-25-16-30-53-58(45)47-24-9-10-27-50(47)62(53)51-28-11-13-31-56(51)67-57-32-14-12-29-52(57)62;1-3-14-38-32-42(26-24-36(38)12-1)57-61-58(43-27-25-37-13-2-4-15-39(37)33-43)63-59(62-57)46-17-11-23-55-56(46)47-34-40(29-31-52(47)64-55)41-28-30-45-44-16-5-6-18-48(44)60(51(45)35-41)49-19-7-9-21-53(49)65-54-22-10-8-20-50(54)60/h3-41H,1-2H3;1-38H;1-35H.
What are the key properties of 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole?
9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole has a molecular weight of 2621.17 g/mol, XLogP of 47.85, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(9,9-dimethyl-7-spiro[fluorene-9,9'-thioxanthene]-4-ylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole;2,4-dinaphthalen-2-yl-6-(8-spiro[fluorene-9,9'-xanthene]-2-yldibenzofuran-1-yl)-1,3,5-triazine;3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole is sourced from PubChem (CID 158242820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).