2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine

C337H202F6N16O7S3 — CID 161379202

IUPAC2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6c4ccc4ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)C3(c5ccccc5Sc5c3ccc3ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Sc6c4ccc4ccccc64)c4ccccc4-5)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C63H38N2O2.C62H37N3OS.C60H35N3O2.C54H34F3N3O.C51H30N2S2.C47H28F3N3O/c1-2-15-42(16-3-1)55-38-56(43-32-28-41(29-33-43)46-21-13-23-51-49-19-7-10-26-57(49)66-60(46)51)65-62(64-55)44-34-30-40(31-35-44)45-20-12-22-50-48-18-6-8-24-52(48)63(59(45)50)53-25-9-11-27-58(53)67-61-47-17-5-4-14-39(47)36-37-54(61)63;1-3-16-38(17-4-1)42-34-43(45-24-15-25-50-49-23-10-13-28-55(49)66-57(45)50)36-44(35-42)61-64-59(40-19-5-2-6-20-40)63-60(65-61)41-30-32-48-47-22-9-11-26-51(47)62(54(48)37-41)52-27-12-14-29-56(52)67-58-46-21-8-7-18-39(46)31-33-53(58)62;1-2-16-39(17-3-1)57-61-58(63-59(62-57)48-25-13-24-47-45-21-9-11-27-52(45)64-54(47)48)40-30-28-38(29-31-40)41-22-12-23-46-44-20-8-10-26-49(44)60(53(41)46)50-34-32-36-14-4-6-18-42(36)55(50)65-56-43-19-7-5-15-37(43)33-35-51(56)60;1-33-22-24-34(25-23-33)37-30-38(35-26-28-40(29-27-35)54(55,56)57)32-39(31-37)51-58-50(36-12-3-2-4-13-36)59-52(60-51)42-15-11-19-46-49(42)41-14-5-6-16-43(41)53(46)44-17-7-9-20-47(44)61-48-21-10-8-18-45(48)53;1-2-13-32(14-3-1)44-30-45(33-22-26-39-38-17-7-10-20-46(38)54-48(39)29-33)53-50(52-44)34-23-25-37-36-16-6-8-18-40(36)51(43(37)28-34)41-19-9-11-21-47(41)55-49-35-15-5-4-12-31(35)24-27-42(49)51;48-47(49,50)33-27-25-30(26-28-33)29-21-23-32(24-22-29)44-51-43(31-11-2-1-3-12-31)52-45(53-44)35-14-10-18-39-42(35)34-13-4-5-15-36(34)46(39)37-16-6-8-19-40(37)54-41-20-9-7-17-38(41)46/h1-38H;1-37H;1-35H;2-32H,1H3;1-30H;1-28H
InChIKeyVRMLOLOCAYXWJL-UHFFFAOYSA-N
MW4797.62 g/mol
LogP87.49
Rot. Bonds26

About 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine

2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 161379202) has the molecular formula C337H202F6N16O7S3 and a molecular weight of 4797.62 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID161379202
Molecular FormulaC337H202F6N16O7S3
Molecular Weight4797.62 g/mol
Exact Mass4793.50
IUPAC Name2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6c4ccc4ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)C3(c5ccccc5Sc5c3ccc3ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Sc6c4ccc4ccccc64)c4ccccc4-5)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C63H38N2O2.C62H37N3OS.C60H35N3O2.C54H34F3N3O.C51H30N2S2.C47H28F3N3O/c1-2-15-42(16-3-1)55-38-56(43-32-28-41(29-33-43)46-21-13-23-51-49-19-7-10-26-57(49)66-60(46)51)65-62(64-55)44-34-30-40(31-35-44)45-20-12-22-50-48-18-6-8-24-52(48)63(59(45)50)53-25-9-11-27-58(53)67-61-47-17-5-4-14-39(47)36-37-54(61)63;1-3-16-38(17-4-1)42-34-43(45-24-15-25-50-49-23-10-13-28-55(49)66-57(45)50)36-44(35-42)61-64-59(40-19-5-2-6-20-40)63-60(65-61)41-30-32-48-47-22-9-11-26-51(47)62(54(48)37-41)52-27-12-14-29-56(52)67-58-46-21-8-7-18-39(46)31-33-53(58)62;1-2-16-39(17-3-1)57-61-58(63-59(62-57)48-25-13-24-47-45-21-9-11-27-52(45)64-54(47)48)40-30-28-38(29-31-40)41-22-12-23-46-44-20-8-10-26-49(44)60(53(41)46)50-34-32-36-14-4-6-18-42(36)55(50)65-56-43-19-7-5-15-37(43)33-35-51(56)60;1-33-22-24-34(25-23-33)37-30-38(35-26-28-40(29-27-35)54(55,56)57)32-39(31-37)51-58-50(36-12-3-2-4-13-36)59-52(60-51)42-15-11-19-46-49(42)41-14-5-6-16-43(41)53(46)44-17-7-9-20-47(44)61-48-21-10-8-18-45(48)53;1-2-13-32(14-3-1)44-30-45(33-22-26-39-38-17-7-10-20-46(38)54-48(39)29-33)53-50(52-44)34-23-25-37-36-16-6-8-18-40(36)51(43(37)28-34)41-19-9-11-21-47(41)55-49-35-15-5-4-12-31(35)24-27-42(49)51;48-47(49,50)33-27-25-30(26-28-33)29-21-23-32(24-22-29)44-51-43(31-11-2-1-3-12-31)52-45(53-44)35-14-10-18-39-42(35)34-13-4-5-15-36(34)46(39)37-16-6-8-19-40(37)54-41-20-9-7-17-38(41)46/h1-38H;1-37H;1-35H;2-32H,1H3;1-30H;1-28H
InChIKeyVRMLOLOCAYXWJL-UHFFFAOYSA-N
XLogP87.49
TPSA282.58 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms369
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004797.62
LogP ≤ 587.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine (CID 161379202) is 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is Cc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)c2)cc1.FC(F)(F)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)n3)cc2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6c4ccc4ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)C3(c5ccccc5Sc5c3ccc3ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6Sc6c4ccc4ccccc64)c4ccccc4-5)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is VRMLOLOCAYXWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2O2.C62H37N3OS.C60H35N3O2.C54H34F3N3O.C51H30N2S2.C47H28F3N3O/c1-2-15-42(16-3-1)55-38-56(43-32-28-41(29-33-43)46-21-13-23-51-49-19-7-10-26-57(49)66-60(46)51)65-62(64-55)44-34-30-40(31-35-44)45-20-12-22-50-48-18-6-8-24-52(48)63(59(45)50)53-25-9-11-27-58(53)67-61-47-17-5-4-14-39(47)36-37-54(61)63;1-3-16-38(17-4-1)42-34-43(45-24-15-25-50-49-23-10-13-28-55(49)66-57(45)50)36-44(35-42)61-64-59(40-19-5-2-6-20-40)63-60(65-61)41-30-32-48-47-22-9-11-26-51(47)62(54(48)37-41)52-27-12-14-29-56(52)67-58-46-21-8-7-18-39(46)31-33-53(58)62;1-2-16-39(17-3-1)57-61-58(63-59(62-57)48-25-13-24-47-45-21-9-11-27-52(45)64-54(47)48)40-30-28-38(29-31-40)41-22-12-23-46-44-20-8-10-26-49(44)60(53(41)46)50-34-32-36-14-4-6-18-42(36)55(50)65-56-43-19-7-5-15-37(43)33-35-51(56)60;1-33-22-24-34(25-23-33)37-30-38(35-26-28-40(29-27-35)54(55,56)57)32-39(31-37)51-58-50(36-12-3-2-4-13-36)59-52(60-51)42-15-11-19-46-49(42)41-14-5-6-16-43(41)53(46)44-17-7-9-20-47(44)61-48-21-10-8-18-45(48)53;1-2-13-32(14-3-1)44-30-45(33-22-26-39-38-17-7-10-20-46(38)54-48(39)29-33)53-50(52-44)34-23-25-37-36-16-6-8-18-40(36)51(43(37)28-34)41-19-9-11-21-47(41)55-49-35-15-5-4-12-31(35)24-27-42(49)51;48-47(49,50)33-27-25-30(26-28-33)29-21-23-32(24-22-29)44-51-43(31-11-2-1-3-12-31)52-45(53-44)35-14-10-18-39-42(35)34-13-4-5-15-36(34)46(39)37-16-6-8-19-40(37)54-41-20-9-7-17-38(41)46/h1-38H;1-37H;1-35H;2-32H,1H3;1-30H;1-28H.
What are the key properties of 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine?
2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 4797.62 g/mol, XLogP of 87.49, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-4-yl-5-phenylphenyl)-4-phenyl-6-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-yl-1,3,5-triazine;4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[benzo[c]xanthene-7,9'-fluorene]-1'-ylphenyl)pyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;4-dibenzothiophen-3-yl-6-phenyl-2-spiro[benzo[c]thioxanthene-7,9'-fluorene]-2'-ylpyrimidine;2-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-spiro[fluorene-9,9'-xanthene]-4-yl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 161379202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).