N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine

C316H237F9N30S4 — CID 160983957

IUPACN-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine
SMILESCC(C)(C)n1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F.CC(C)(C)n1c(-c2ccc(N(c3ccncc3)c3ccc(-c4ccccc4)cc3)s2)ccc1-c1ccc(N(c2ccncc2)c2ccc(-c3ccccc3)cc2)s1.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1C.Cn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F.Fc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)n1-c1ccccc1.c1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(-c5ccc(N(c6ccncc6)c6ccc(-c7ccccc7)cc6)s5)n4-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C56H39F2N5.C54H43F2N5.C53H40F3N5.C52H37N5S2.C51H37F2N5.C50H41N5S2/c57-53-36-47(61(49-18-10-34-59-38-49)45-24-20-42(21-25-45)40-12-4-1-5-13-40)28-30-51(53)55-32-33-56(63(55)44-16-8-3-9-17-44)52-31-29-48(37-54(52)58)62(50-19-11-35-60-39-50)46-26-22-43(23-27-46)41-14-6-2-7-15-41;1-54(2,3)61-52(48-28-26-44(34-50(48)55)59(46-16-10-32-57-36-46)42-22-18-40(19-23-42)38-12-6-4-7-13-38)30-31-53(61)49-29-27-45(35-51(49)56)60(47-17-11-33-58-37-47)43-24-20-41(21-25-43)39-14-8-5-9-15-39;1-37-33-44(60(46-15-9-31-57-35-46)42-21-17-40(18-22-42)38-11-5-3-6-12-38)25-27-48(37)51-29-30-52(59(51)2)49-28-26-45(34-50(49)53(54,55)56)61(47-16-10-32-58-36-47)43-23-19-41(20-24-43)39-13-7-4-8-14-39;1-4-10-38(11-5-1)40-16-20-43(21-17-40)55(45-30-34-53-35-31-45)51-28-26-49(58-51)47-24-25-48(57(47)42-14-8-3-9-15-42)50-27-29-52(59-50)56(46-32-36-54-37-33-46)44-22-18-41(19-23-44)39-12-6-2-7-13-39;1-56-50(46-26-24-42(32-48(46)52)57(44-14-8-30-54-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(56)47-27-25-43(33-49(47)53)58(45-15-9-31-55-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37;1-50(2,3)55-44(46-24-26-48(56-46)53(42-28-32-51-33-29-42)40-18-14-38(15-19-40)36-10-6-4-7-11-36)22-23-45(55)47-25-27-49(57-47)54(43-30-34-52-35-31-43)41-20-16-39(17-21-41)37-12-8-5-9-13-37/h1-39H;4-37H,1-3H3;3-36H,1-2H3;1-37H;2-35H,1H3;4-35H,1-3H3
InChIKeySZWKFRFTSHRNAT-UHFFFAOYSA-N
MW4753.83 g/mol
LogP88.28
Rot. Bonds62

About N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine

N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine (PubChem CID 160983957) has the molecular formula C316H237F9N30S4 and a molecular weight of 4753.83 g/mol. Its IUPAC name is N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine
PubChem CID160983957
Molecular FormulaC316H237F9N30S4
Molecular Weight4753.83 g/mol
Exact Mass4749.82
IUPAC NameN-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine
SMILESCC(C)(C)n1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F.CC(C)(C)n1c(-c2ccc(N(c3ccncc3)c3ccc(-c4ccccc4)cc3)s2)ccc1-c1ccc(N(c2ccncc2)c2ccc(-c3ccccc3)cc2)s1.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1C.Cn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F.Fc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)n1-c1ccccc1.c1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(-c5ccc(N(c6ccncc6)c6ccc(-c7ccccc7)cc6)s5)n4-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C56H39F2N5.C54H43F2N5.C53H40F3N5.C52H37N5S2.C51H37F2N5.C50H41N5S2/c57-53-36-47(61(49-18-10-34-59-38-49)45-24-20-42(21-25-45)40-12-4-1-5-13-40)28-30-51(53)55-32-33-56(63(55)44-16-8-3-9-17-44)52-31-29-48(37-54(52)58)62(50-19-11-35-60-39-50)46-26-22-43(23-27-46)41-14-6-2-7-15-41;1-54(2,3)61-52(48-28-26-44(34-50(48)55)59(46-16-10-32-57-36-46)42-22-18-40(19-23-42)38-12-6-4-7-13-38)30-31-53(61)49-29-27-45(35-51(49)56)60(47-17-11-33-58-37-47)43-24-20-41(21-25-43)39-14-8-5-9-15-39;1-37-33-44(60(46-15-9-31-57-35-46)42-21-17-40(18-22-42)38-11-5-3-6-12-38)25-27-48(37)51-29-30-52(59(51)2)49-28-26-45(34-50(49)53(54,55)56)61(47-16-10-32-58-36-47)43-23-19-41(20-24-43)39-13-7-4-8-14-39;1-4-10-38(11-5-1)40-16-20-43(21-17-40)55(45-30-34-53-35-31-45)51-28-26-49(58-51)47-24-25-48(57(47)42-14-8-3-9-15-42)50-27-29-52(59-50)56(46-32-36-54-37-33-46)44-22-18-41(19-23-44)39-12-6-2-7-13-39;1-56-50(46-26-24-42(32-48(46)52)57(44-14-8-30-54-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(56)47-27-25-43(33-49(47)53)58(45-15-9-31-55-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37;1-50(2,3)55-44(46-24-26-48(56-46)53(42-28-32-51-33-29-42)40-18-14-38(15-19-40)36-10-6-4-7-11-36)22-23-45(55)47-25-27-49(57-47)54(43-30-34-52-35-31-43)41-20-16-39(17-21-41)37-12-8-5-9-13-37/h1-39H;4-37H,1-3H3;3-36H,1-2H3;1-37H;2-35H,1H3;4-35H,1-3H3
InChIKeySZWKFRFTSHRNAT-UHFFFAOYSA-N
XLogP88.28
TPSA223.14 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds62
Heavy Atoms359
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004753.83
LogP ≤ 588.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine 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

8-[4-[4,5,6,7-Tetrafluoro-3-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-(trifluoromethyl)phenyl]-2-benzothiophen-1-yl]-3-(trifluoromethyl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144035094
5-[2-[3-([1]Benzothiolo[3,2-c]carbazol-5-yl)pyridin-2-yl]-3-(trifluoromethyl)phenyl]-10-[12-phenyl-5-[2-[2-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(trifluoromethyl)phenyl]pyridin-3-yl]indolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
CID 156282580
1-[3-[4-[2-[5-[3,5-Di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 157202562
12-[2-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4-(2,6-difluorophenyl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157676979
N-[4-[1-tert-butyl-5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N,6-diphenylpyridin-3-amine;N-[4-[1-tert-butyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-methylphenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(N-(6-phenyl-3-pyridinyl)anilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N,6-diphenylpyridin-3-amine;N-[3-methyl-4-[1-phenyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
CID 158442627
2-[3-(4-Tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[4,6-difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium
CID 159443307
N-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine;5-ethyl-2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole;5-ethyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;N-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1,3-thiazol-5-amine;5-propan-2-yl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 159644033
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 160178868
12-[3-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-2,7-bis(2-phenyl-3-pyridinyl)carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[2-(3,5-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 160394848
12-[3-([1]Benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 160515686
4-cyclopropyl-N-ethyl-2-(5-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-5-amine;4-cyclopropyl-5-ethyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazole;4-cyclopropyl-5-ethyl-2-pyridin-3-yl-1,3-thiazole;4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-cyclopropyl-N-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine;4-cyclopropyl-5-propan-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 160519206
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium
CID 160602958

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine?
The IUPAC name of N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine (CID 160983957) is N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine.
What is the SMILES notation for N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine?
The canonical SMILES for N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine is CC(C)(C)n1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F.CC(C)(C)n1c(-c2ccc(N(c3ccncc3)c3ccc(-c4ccccc4)cc3)s2)ccc1-c1ccc(N(c2ccncc2)c2ccc(-c3ccccc3)cc2)s1.Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2C(F)(F)F)n1C.Cn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)cc1F.Fc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccnc2)ccc1-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccnc3)cc2F)n1-c1ccccc1.c1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(-c5ccc(N(c6ccncc6)c6ccc(-c7ccccc7)cc6)s5)n4-c4ccccc4)s3)cc2)cc1.
What is the InChIKey of N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine?
The InChIKey is SZWKFRFTSHRNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39F2N5.C54H43F2N5.C53H40F3N5.C52H37N5S2.C51H37F2N5.C50H41N5S2/c57-53-36-47(61(49-18-10-34-59-38-49)45-24-20-42(21-25-45)40-12-4-1-5-13-40)28-30-51(53)55-32-33-56(63(55)44-16-8-3-9-17-44)52-31-29-48(37-54(52)58)62(50-19-11-35-60-39-50)46-26-22-43(23-27-46)41-14-6-2-7-15-41;1-54(2,3)61-52(48-28-26-44(34-50(48)55)59(46-16-10-32-57-36-46)42-22-18-40(19-23-42)38-12-6-4-7-13-38)30-31-53(61)49-29-27-45(35-51(49)56)60(47-17-11-33-58-37-47)43-24-20-41(21-25-43)39-14-8-5-9-15-39;1-37-33-44(60(46-15-9-31-57-35-46)42-21-17-40(18-22-42)38-11-5-3-6-12-38)25-27-48(37)51-29-30-52(59(51)2)49-28-26-45(34-50(49)53(54,55)56)61(47-16-10-32-58-36-47)43-23-19-41(20-24-43)39-13-7-4-8-14-39;1-4-10-38(11-5-1)40-16-20-43(21-17-40)55(45-30-34-53-35-31-45)51-28-26-49(58-51)47-24-25-48(57(47)42-14-8-3-9-15-42)50-27-29-52(59-50)56(46-32-36-54-37-33-46)44-22-18-41(19-23-44)39-12-6-2-7-13-39;1-56-50(46-26-24-42(32-48(46)52)57(44-14-8-30-54-34-44)40-20-16-38(17-21-40)36-10-4-2-5-11-36)28-29-51(56)47-27-25-43(33-49(47)53)58(45-15-9-31-55-35-45)41-22-18-39(19-23-41)37-12-6-3-7-13-37;1-50(2,3)55-44(46-24-26-48(56-46)53(42-28-32-51-33-29-42)40-18-14-38(15-19-40)36-10-6-4-7-11-36)22-23-45(55)47-25-27-49(57-47)54(43-30-34-52-35-31-43)41-20-16-39(17-21-41)37-12-8-5-9-13-37/h1-39H;4-37H,1-3H3;3-36H,1-2H3;1-37H;2-35H,1H3;4-35H,1-3H3.
What are the key properties of N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine?
N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine has a molecular weight of 4753.83 g/mol, XLogP of 88.28, 62 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-tert-butyl-5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]pyrrol-2-yl]-3-fluorophenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[5-[1-tert-butyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]-N-(4-phenylphenyl)pyridin-4-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-methylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-fluoro-4-[5-[2-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]-1-phenylpyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[3-methyl-4-[1-methyl-5-[4-(4-phenyl-N-pyridin-3-ylanilino)-2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-(4-phenylphenyl)-N-[5-[1-phenyl-5-[5-(4-phenyl-N-pyridin-4-ylanilino)thiophen-2-yl]pyrrol-2-yl]thiophen-2-yl]pyridin-4-amine is sourced from PubChem (CID 160983957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).