4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole

C330H224F42N22 — CID 160761779

IUPAC4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole
SMILESCC1(C)c2ccccc2N(c2ccc(C(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc21.Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1cccc2c3cccc(C)c3n(-c3ccc(C(c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)(C(F)(F)F)C(F)(F)F)cc3)c12.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C61H38F6N4.C47H35F6N3.C46H33F6N3.2C45H31F6N3.C43H27F6N3.C43H29F6N3/c62-60(63,64)59(61(65,66)67,44-28-24-40(25-29-44)53-38-52(39-14-4-1-5-15-39)68-58(69-53)41-16-6-2-7-17-41)45-30-32-47(33-31-45)71-55-23-13-11-21-49(55)51-37-43(27-35-57(51)71)42-26-34-56-50(36-42)48-20-10-12-22-54(48)70(56)46-18-8-3-9-19-46;1-28-23-30(3)42-38(25-28)39-26-29(2)24-31(4)43(39)56(42)37-21-19-36(20-22-37)45(46(48,49)50,47(51,52)53)35-17-15-33(16-18-35)41-27-40(32-11-7-5-8-12-32)54-44(55-41)34-13-9-6-10-14-34;1-43(2)36-17-9-11-19-40(36)55(41-20-12-10-18-37(41)43)35-27-25-34(26-28-35)44(45(47,48)49,46(50,51)52)33-23-21-31(22-24-33)39-29-38(30-13-5-3-6-14-30)53-42(54-39)32-15-7-4-8-16-32;1-28-11-9-17-36-37-18-10-12-29(2)41(37)54(40(28)36)35-25-23-34(24-26-35)43(44(46,47)48,45(49,50)51)33-21-19-31(20-22-33)39-27-38(30-13-5-3-6-14-30)52-42(53-39)32-15-7-4-8-16-32;1-28-13-23-40-36(25-28)37-26-29(2)14-24-41(37)54(40)35-21-19-34(20-22-35)43(44(46,47)48,45(49,50)51)33-17-15-31(16-18-33)39-27-38(30-9-5-3-6-10-30)52-42(53-39)32-11-7-4-8-12-32;44-42(45,46)41(43(47,48)49,32-23-25-33(26-24-32)52-38-17-9-7-15-34(38)35-16-8-10-18-39(35)52)31-21-19-29(20-22-31)37-27-36(28-11-3-1-4-12-28)50-40(51-37)30-13-5-2-6-14-30;44-42(45,46)41(43(47,48)49,34-25-27-37(28-26-34)52(35-17-9-3-10-18-35)36-19-11-4-12-20-36)33-23-21-31(22-24-33)39-29-38(30-13-5-1-6-14-30)50-40(51-39)32-15-7-2-8-16-32/h1-38H;5-27H,1-4H3;3-29H,1-2H3;2*3-27H,1-2H3;1-27H;1-29H
InChIKeyRYDWXPFYOVLGNF-UHFFFAOYSA-N
MW5295.49 g/mol
LogP92.51
Rot. Bonds46

About 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole

4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole (PubChem CID 160761779) has the molecular formula C330H224F42N22 and a molecular weight of 5295.49 g/mol. Its IUPAC name is 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole.

Molecular Properties

Compound Name4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole
PubChem CID160761779
Molecular FormulaC330H224F42N22
Molecular Weight5295.49 g/mol
Exact Mass5291.75
IUPAC Name4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole
SMILESCC1(C)c2ccccc2N(c2ccc(C(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc21.Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1cccc2c3cccc(C)c3n(-c3ccc(C(c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)(C(F)(F)F)C(F)(F)F)cc3)c12.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C61H38F6N4.C47H35F6N3.C46H33F6N3.2C45H31F6N3.C43H27F6N3.C43H29F6N3/c62-60(63,64)59(61(65,66)67,44-28-24-40(25-29-44)53-38-52(39-14-4-1-5-15-39)68-58(69-53)41-16-6-2-7-17-41)45-30-32-47(33-31-45)71-55-23-13-11-21-49(55)51-37-43(27-35-57(51)71)42-26-34-56-50(36-42)48-20-10-12-22-54(48)70(56)46-18-8-3-9-19-46;1-28-23-30(3)42-38(25-28)39-26-29(2)24-31(4)43(39)56(42)37-21-19-36(20-22-37)45(46(48,49)50,47(51,52)53)35-17-15-33(16-18-35)41-27-40(32-11-7-5-8-12-32)54-44(55-41)34-13-9-6-10-14-34;1-43(2)36-17-9-11-19-40(36)55(41-20-12-10-18-37(41)43)35-27-25-34(26-28-35)44(45(47,48)49,46(50,51)52)33-23-21-31(22-24-33)39-29-38(30-13-5-3-6-14-30)53-42(54-39)32-15-7-4-8-16-32;1-28-11-9-17-36-37-18-10-12-29(2)41(37)54(40(28)36)35-25-23-34(24-26-35)43(44(46,47)48,45(49,50)51)33-21-19-31(20-22-33)39-27-38(30-13-5-3-6-14-30)52-42(53-39)32-15-7-4-8-16-32;1-28-13-23-40-36(25-28)37-26-29(2)14-24-41(37)54(40)35-21-19-34(20-22-35)43(44(46,47)48,45(49,50)51)33-17-15-31(16-18-33)39-27-38(30-9-5-3-6-10-30)52-42(53-39)32-11-7-4-8-12-32;44-42(45,46)41(43(47,48)49,32-23-25-33(26-24-32)52-38-17-9-7-15-34(38)35-16-8-10-18-39(35)52)31-21-19-29(20-22-31)37-27-36(28-11-3-1-4-12-28)50-40(51-37)30-13-5-2-6-14-30;44-42(45,46)41(43(47,48)49,34-25-27-37(28-26-34)52(35-17-9-3-10-18-35)36-19-11-4-12-20-36)33-23-21-31(22-24-33)39-29-38(30-13-5-1-6-14-30)50-40(51-39)32-15-7-2-8-16-32/h1-38H;5-27H,1-4H3;3-29H,1-2H3;2*3-27H,1-2H3;1-27H;1-29H
InChIKeyRYDWXPFYOVLGNF-UHFFFAOYSA-N
XLogP92.51
TPSA216.52 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds46
Heavy Atoms394
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005295.49
LogP ≤ 592.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole with MolForge

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Related Compounds

9-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]carbazole
CID 168341574
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CID 57852447
9-[3-[6-(4-Carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-[3-(2-fluoroethyl)carbazol-9-yl]phenyl]-3-(2-fluoroethyl)carbazole
CID 58526864
3-[9-(4-Fluorophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 68350182
10-[4,6-Bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 88855520
5-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 88855554
9-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 88878712
9-(4-[1,1'-Biphenyl]-4-yl-2-quinazolinyl)-9'-phenyl-3,3'-bi-9H-carbazole
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3-[9-(4-Fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129289
3-[9-(3-Fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole
CID 90129294
3-[9-(3-Fluorophenyl)carbazol-3-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole
CID 117881019
3-[4-[9-(4-Fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067267

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole?
The IUPAC name of 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole (CID 160761779) is 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole.
What is the SMILES notation for 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole?
The canonical SMILES for 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole is CC1(C)c2ccccc2N(c2ccc(C(c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc21.Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1cccc2c3cccc(C)c3n(-c3ccc(C(c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)(C(F)(F)F)C(F)(F)F)cc3)c12.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)C(F)(F)F.FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole?
The InChIKey is RYDWXPFYOVLGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F6N4.C47H35F6N3.C46H33F6N3.2C45H31F6N3.C43H27F6N3.C43H29F6N3/c62-60(63,64)59(61(65,66)67,44-28-24-40(25-29-44)53-38-52(39-14-4-1-5-15-39)68-58(69-53)41-16-6-2-7-17-41)45-30-32-47(33-31-45)71-55-23-13-11-21-49(55)51-37-43(27-35-57(51)71)42-26-34-56-50(36-42)48-20-10-12-22-54(48)70(56)46-18-8-3-9-19-46;1-28-23-30(3)42-38(25-28)39-26-29(2)24-31(4)43(39)56(42)37-21-19-36(20-22-37)45(46(48,49)50,47(51,52)53)35-17-15-33(16-18-35)41-27-40(32-11-7-5-8-12-32)54-44(55-41)34-13-9-6-10-14-34;1-43(2)36-17-9-11-19-40(36)55(41-20-12-10-18-37(41)43)35-27-25-34(26-28-35)44(45(47,48)49,46(50,51)52)33-23-21-31(22-24-33)39-29-38(30-13-5-3-6-14-30)53-42(54-39)32-15-7-4-8-16-32;1-28-11-9-17-36-37-18-10-12-29(2)41(37)54(40(28)36)35-25-23-34(24-26-35)43(44(46,47)48,45(49,50)51)33-21-19-31(20-22-33)39-27-38(30-13-5-3-6-14-30)52-42(53-39)32-15-7-4-8-16-32;1-28-13-23-40-36(25-28)37-26-29(2)14-24-41(37)54(40)35-21-19-34(20-22-35)43(44(46,47)48,45(49,50)51)33-17-15-31(16-18-33)39-27-38(30-9-5-3-6-10-30)52-42(53-39)32-11-7-4-8-12-32;44-42(45,46)41(43(47,48)49,32-23-25-33(26-24-32)52-38-17-9-7-15-34(38)35-16-8-10-18-39(35)52)31-21-19-29(20-22-31)37-27-36(28-11-3-1-4-12-28)50-40(51-37)30-13-5-2-6-14-30;44-42(45,46)41(43(47,48)49,34-25-27-37(28-26-34)52(35-17-9-3-10-18-35)36-19-11-4-12-20-36)33-23-21-31(22-24-33)39-29-38(30-13-5-1-6-14-30)50-40(51-39)32-15-7-2-8-16-32/h1-38H;5-27H,1-4H3;3-29H,1-2H3;2*3-27H,1-2H3;1-27H;1-29H.
What are the key properties of 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole?
4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole has a molecular weight of 5295.49 g/mol, XLogP of 92.51, 46 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-N,N-diphenylaniline;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazole;3-[9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,8-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-3,6-dimethylcarbazole;9-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3,6,8-tetramethylcarbazole is sourced from PubChem (CID 160761779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).