4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

C237H153F6N17O4 — CID 157266218

IUPAC4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(C)(C)C)cc(-n3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c1-2.FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7-c7ccccc7C87c8ccccc8Oc8ccccc87)ccc65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C65H39N5O.C60H48N4O.C58H36N4O.C54H30F6N4O/c66-40-41-28-30-42(31-29-41)43-32-34-45(35-33-43)63-67-62(44-14-2-1-3-15-44)68-64(69-63)47-16-12-17-48(38-47)70-57-25-9-5-18-50(57)52-39-46(36-37-58(52)70)49-20-13-24-56-61(49)51-19-4-6-21-53(51)65(56)54-22-7-10-26-59(54)71-60-27-11-8-23-55(60)65;1-58(2,3)39-32-33-41-46(34-39)60(44-26-14-17-30-51(44)65-52-31-18-15-27-45(52)60)47-35-40(59(4,5)6)36-50(54(41)47)64-48-28-16-13-24-42(48)53-43(25-19-29-49(53)64)57-62-55(37-20-9-7-10-21-37)61-56(63-57)38-22-11-8-12-23-38;1-3-17-37(18-4-1)55-59-56(38-19-5-2-6-20-38)61-57(60-55)40-21-15-22-41(35-40)62-50-30-12-8-23-43(50)45-36-39(33-34-51(45)62)42-25-16-29-49-54(42)44-24-7-9-26-46(44)58(49)47-27-10-13-31-52(47)63-53-32-14-11-28-48(53)58;55-53(56,57)33-24-20-31(21-25-33)49-61-50(32-22-26-34(27-23-32)54(58,59)60)63-51(62-49)39-12-9-17-45-48(39)38-11-2-6-16-44(38)64(45)35-28-29-37-36-10-1-3-13-40(36)52(43(37)30-35)41-14-4-7-18-46(41)65-47-19-8-5-15-42(47)52/h1-39H;7-36H,1-6H3;1-36H;1-30H
InChIKeyAYAJANNESFBPFU-UHFFFAOYSA-N
MW3416.93 g/mol
LogP59.26
Rot. Bonds19

About 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 157266218) has the molecular formula C237H153F6N17O4 and a molecular weight of 3416.93 g/mol. Its IUPAC name is 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID157266218
Molecular FormulaC237H153F6N17O4
Molecular Weight3416.93 g/mol
Exact Mass3414.22
IUPAC Name4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(C)(C)C)cc(-n3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c1-2.FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7-c7ccccc7C87c8ccccc8Oc8ccccc87)ccc65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C65H39N5O.C60H48N4O.C58H36N4O.C54H30F6N4O/c66-40-41-28-30-42(31-29-41)43-32-34-45(35-33-43)63-67-62(44-14-2-1-3-15-44)68-64(69-63)47-16-12-17-48(38-47)70-57-25-9-5-18-50(57)52-39-46(36-37-58(52)70)49-20-13-24-56-61(49)51-19-4-6-21-53(51)65(56)54-22-7-10-26-59(54)71-60-27-11-8-23-55(60)65;1-58(2,3)39-32-33-41-46(34-39)60(44-26-14-17-30-51(44)65-52-31-18-15-27-45(52)60)47-35-40(59(4,5)6)36-50(54(41)47)64-48-28-16-13-24-42(48)53-43(25-19-29-49(53)64)57-62-55(37-20-9-7-10-21-37)61-56(63-57)38-22-11-8-12-23-38;1-3-17-37(18-4-1)55-59-56(38-19-5-2-6-20-38)61-57(60-55)40-21-15-22-41(35-40)62-50-30-12-8-23-43(50)45-36-39(33-34-51(45)62)42-25-16-29-49-54(42)44-24-7-9-26-46(44)58(49)47-27-10-13-31-52(47)63-53-32-14-11-28-48(53)58;55-53(56,57)33-24-20-31(21-25-33)49-61-50(32-22-26-34(27-23-32)54(58,59)60)63-51(62-49)39-12-9-17-45-48(39)38-11-2-6-16-44(38)64(45)35-28-29-37-36-10-1-3-13-40(36)52(43(37)30-35)41-14-4-7-18-46(41)65-47-19-8-5-15-42(47)52/h1-39H;7-36H,1-6H3;1-36H;1-30H
InChIKeyAYAJANNESFBPFU-UHFFFAOYSA-N
XLogP59.26
TPSA235.11 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003416.93
LogP ≤ 559.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4,6-Bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 139306916
3-[7-[4-[4-[4-[2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]-7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 146343210
25-(4-Fluorophenyl)-4'-[3-[2-[4'-[7-(2-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylquinazolin-4-yl)naphthalen-2-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl]quinolin-4-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
CID 156227618
9-[2,6-Bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
CID 157283390
3-[8-[9-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(3-isocyanophenyl)quinazolin-2-yl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[3-(3-phenylphenyl)phenyl]quinazolin-2-yl]carbazole;3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-[4-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]carbazole
CID 157399837
2-[3,5-Bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-(6-tert-butylnaphthalen-2-yl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2-fluorophenyl)benzo[h]quinazoline;4-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-[3-(4-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[3,5-bis(2-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[4-[4-(trifluoromethyl)phenyl]phenyl]benzo[h]quinazoline
CID 157492933
9-[4-Dibenzofuran-1-yl-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(trifluoromethyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-2,7-dicarbonitrile;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 157522770
2-[9-[4-Dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile;2-[9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
CID 157668010
2-(6-Dibenzofuran-2-yl-9,9-difluorofluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-difluoro-6-(9,9'-spirobi[fluorene]-2-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-9-phenylcarbazole
CID 157706407
4-[[2,3-bis[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]-cyanomethyl]-2,3,5,6-tetrafluorobenzonitrile;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2E)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methyl-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 157935701
9-[4-Dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 157987448
2-[10-(dicyanomethylidene)-2,8-bis(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158171655

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 157266218) is 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C(C)(C)C)cc(-n3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c1-2.FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7-c7ccccc7C87c8ccccc8Oc8ccccc87)ccc65)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7Oc7ccccc76)ccc54)c3)n2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is AYAJANNESFBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5O.C60H48N4O.C58H36N4O.C54H30F6N4O/c66-40-41-28-30-42(31-29-41)43-32-34-45(35-33-43)63-67-62(44-14-2-1-3-15-44)68-64(69-63)47-16-12-17-48(38-47)70-57-25-9-5-18-50(57)52-39-46(36-37-58(52)70)49-20-13-24-56-61(49)51-19-4-6-21-53(51)65(56)54-22-7-10-26-59(54)71-60-27-11-8-23-55(60)65;1-58(2,3)39-32-33-41-46(34-39)60(44-26-14-17-30-51(44)65-52-31-18-15-27-45(52)60)47-35-40(59(4,5)6)36-50(54(41)47)64-48-28-16-13-24-42(48)53-43(25-19-29-49(53)64)57-62-55(37-20-9-7-10-21-37)61-56(63-57)38-22-11-8-12-23-38;1-3-17-37(18-4-1)55-59-56(38-19-5-2-6-20-38)61-57(60-55)40-21-15-22-41(35-40)62-50-30-12-8-23-43(50)45-36-39(33-34-51(45)62)42-25-16-29-49-54(42)44-24-7-9-26-46(44)58(49)47-27-10-13-31-52(47)63-53-32-14-11-28-48(53)58;55-53(56,57)33-24-20-31(21-25-33)49-61-50(32-22-26-34(27-23-32)54(58,59)60)63-51(62-49)39-12-9-17-45-48(39)38-11-2-6-16-44(38)64(45)35-28-29-37-36-10-1-3-13-40(36)52(43(37)30-35)41-14-4-7-18-46(41)65-47-19-8-5-15-42(47)52/h1-39H;7-36H,1-6H3;1-36H;1-30H.
What are the key properties of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 3416.93 g/mol, XLogP of 59.26, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole;9-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazole;4-[4-[4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-4-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 157266218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).