1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline

C274H233N17O2S10 — CID 157376346

IUPAC1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc(C)s4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)s4)cc3)c3ncncn3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)[nH]4)cc3)cc2)[nH]1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)o4)cc3)cc2)o1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(C)s5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(C)s4)cc3)cc2)s1
InChIInChI=1S/C48H48N2S2.C46H36N2S2.C40H32N2S2.C32H27N.C28H25N3.C28H23NO2.C27H22N2S2.C25H20N4S2/c1-5-7-9-37-13-21-41(22-14-37)49(43-25-17-39(18-26-43)47-33-11-35(3)51-47)45-29-31-46(32-30-45)50(42-23-15-38(16-24-42)10-8-6-2)44-27-19-40(20-28-44)48-34-12-36(4)52-48;1-33-13-31-45(49-33)37-19-27-43(28-20-37)47(39-9-5-3-6-10-39)41-23-15-35(16-24-41)36-17-25-42(26-18-36)48(40-11-7-4-8-12-40)44-29-21-38(22-30-44)46-32-14-34(2)50-46;1-29-13-27-39(43-29)31-15-19-35(20-16-31)41(33-9-5-3-6-10-33)37-23-25-38(26-24-37)42(34-11-7-4-8-12-34)36-21-17-32(18-22-36)40-28-14-30(2)44-40;1-24-8-12-26(13-9-24)28-16-20-31(21-17-28)33(30-6-4-3-5-7-30)32-22-18-29(19-23-32)27-14-10-25(2)11-15-27;1-20-8-18-27(29-20)22-10-14-25(15-11-22)31(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)30-28;1-20-8-18-27(30-20)22-10-14-25(15-11-22)29(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)31-28;1-19-3-13-26(30-19)21-5-9-23(10-6-21)29(25-15-17-28-18-16-25)24-11-7-22(8-12-24)27-14-4-20(2)31-27;1-17-3-13-23(30-17)19-5-9-21(10-6-19)29(25-27-15-26-16-28-25)22-11-7-20(8-12-22)24-14-4-18(2)31-24/h11-34H,5-10H2,1-4H3;3-32H,1-2H3;3-28H,1-2H3;3-23H,1-2H3;3-19,29-30H,1-2H3;3-19H,1-2H3;3-18H,1-2H3;3-16H,1-2H3
InChIKeyBKJHOPZGZALNCG-UHFFFAOYSA-N
MW4116.66 g/mol
LogP83.66
Rot. Bonds56

About 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline

1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline (PubChem CID 157376346) has the molecular formula C274H233N17O2S10 and a molecular weight of 4116.66 g/mol. Its IUPAC name is 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
PubChem CID157376346
Molecular FormulaC274H233N17O2S10
Molecular Weight4116.66 g/mol
Exact Mass4112.59
IUPAC Name1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
SMILESCCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc(C)s4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)s4)cc3)c3ncncn3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)[nH]4)cc3)cc2)[nH]1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)o4)cc3)cc2)o1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(C)s5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(C)s4)cc3)cc2)s1
InChIInChI=1S/C48H48N2S2.C46H36N2S2.C40H32N2S2.C32H27N.C28H25N3.C28H23NO2.C27H22N2S2.C25H20N4S2/c1-5-7-9-37-13-21-41(22-14-37)49(43-25-17-39(18-26-43)47-33-11-35(3)51-47)45-29-31-46(32-30-45)50(42-23-15-38(16-24-42)10-8-6-2)44-27-19-40(20-28-44)48-34-12-36(4)52-48;1-33-13-31-45(49-33)37-19-27-43(28-20-37)47(39-9-5-3-6-10-39)41-23-15-35(16-24-41)36-17-25-42(26-18-36)48(40-11-7-4-8-12-40)44-29-21-38(22-30-44)46-32-14-34(2)50-46;1-29-13-27-39(43-29)31-15-19-35(20-16-31)41(33-9-5-3-6-10-33)37-23-25-38(26-24-37)42(34-11-7-4-8-12-34)36-21-17-32(18-22-36)40-28-14-30(2)44-40;1-24-8-12-26(13-9-24)28-16-20-31(21-17-28)33(30-6-4-3-5-7-30)32-22-18-29(19-23-32)27-14-10-25(2)11-15-27;1-20-8-18-27(29-20)22-10-14-25(15-11-22)31(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)30-28;1-20-8-18-27(30-20)22-10-14-25(15-11-22)29(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)31-28;1-19-3-13-26(30-19)21-5-9-23(10-6-21)29(25-15-17-28-18-16-25)24-11-7-22(8-12-24)27-14-4-20(2)31-27;1-17-3-13-23(30-17)19-5-9-21(10-6-19)29(25-27-15-26-16-28-25)22-11-7-20(8-12-22)24-14-4-18(2)31-24/h11-34H,5-10H2,1-4H3;3-32H,1-2H3;3-28H,1-2H3;3-23H,1-2H3;3-19,29-30H,1-2H3;3-19H,1-2H3;3-18H,1-2H3;3-16H,1-2H3
InChIKeyBKJHOPZGZALNCG-UHFFFAOYSA-N
XLogP83.66
TPSA145.06 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds56
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004116.66
LogP ≤ 583.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline with MolForge

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Related Compounds

9-[3,5-Bis(8-phenyldibenzothiophen-2-yl)phenyl]-14-(4-dibenzofuran-2-ylpyrimidin-2-yl)-5,18-bis(3-methylbutyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 117862898
N-[4-[5-[4-(N-pyridin-2-yl-4-thiophen-2-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-thiophen-2-ylphenyl)pyridin-2-amine
CID 122659663
3-Dibenzofuran-4-yl-9-[4-[4-[4-[4-[2-(3-dibenzothiophen-4-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6-phenylpyrimidin-2-yl]carbazole
CID 132024733
3-Dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole
CID 157168634
3-Dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157268784
3-Dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157271767
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157482357
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;methane;2-methyl-5-(4-methylphenyl)thiophene;2-(4-methylphenyl)-1-benzofuran;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-(4-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-1H-pyrrole;3-(4-methylphenyl)thiophene
CID 157573101
3-[4-[2-[4-(3-Aminopropyl)phenyl]-3-methylimidazol-4-yl]phenyl]propan-1-amine;2-[3-[4-[2-[4-[3-(diaminomethylideneamino)propyl]phenyl]-3-methylimidazol-4-yl]phenyl]propyl]guanidine;5-[4-[5-[4-[3-(diaminomethylideneamino)propyl]phenyl]thiophen-2-yl]phenyl]pentanimidamide;4-[4-[5-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]furan-2-yl]phenyl]-1,1-dimethylpiperazin-1-ium
CID 157694223
2-Dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157719935
3-Dibenzofuran-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 157737451
N,4-diphenyl-N-[4-[5-[4-(N-(4-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine;N,5-diphenyl-N-[4-[5-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]furan-2-yl]phenyl]thiophen-2-amine;N-[4-[5-[4-(N,3-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(3-pyridin-4-ylphenyl)pyridin-4-amine;N-(3-pyridin-3-ylphenyl)-N-[4-[5-[4-(3-pyridin-3-yl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine;N-(3-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-3-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine;N-(3-pyridin-4-ylphenyl)-N-[4-[5-[4-(N-pyridin-3-yl-3-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-3-amine
CID 157748481

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The IUPAC name of 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline (CID 157376346) is 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline.
What is the SMILES notation for 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The canonical SMILES for 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline is CCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(-c4ccc(C)s4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)s4)cc3)c3ncncn3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)[nH]4)cc3)cc2)[nH]1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)o4)cc3)cc2)o1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C)s6)cc5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5ccc(C)s5)cc4)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccncc3)c3ccc(-c4ccc(C)s4)cc3)cc2)s1.
What is the InChIKey of 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
The InChIKey is BKJHOPZGZALNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N2S2.C46H36N2S2.C40H32N2S2.C32H27N.C28H25N3.C28H23NO2.C27H22N2S2.C25H20N4S2/c1-5-7-9-37-13-21-41(22-14-37)49(43-25-17-39(18-26-43)47-33-11-35(3)51-47)45-29-31-46(32-30-45)50(42-23-15-38(16-24-42)10-8-6-2)44-27-19-40(20-28-44)48-34-12-36(4)52-48;1-33-13-31-45(49-33)37-19-27-43(28-20-37)47(39-9-5-3-6-10-39)41-23-15-35(16-24-41)36-17-25-42(26-18-36)48(40-11-7-4-8-12-40)44-29-21-38(22-30-44)46-32-14-34(2)50-46;1-29-13-27-39(43-29)31-15-19-35(20-16-31)41(33-9-5-3-6-10-33)37-23-25-38(26-24-37)42(34-11-7-4-8-12-34)36-21-17-32(18-22-36)40-28-14-30(2)44-40;1-24-8-12-26(13-9-24)28-16-20-31(21-17-28)33(30-6-4-3-5-7-30)32-22-18-29(19-23-32)27-14-10-25(2)11-15-27;1-20-8-18-27(29-20)22-10-14-25(15-11-22)31(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)30-28;1-20-8-18-27(30-20)22-10-14-25(15-11-22)29(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)31-28;1-19-3-13-26(30-19)21-5-9-23(10-6-21)29(25-15-17-28-18-16-25)24-11-7-22(8-12-24)27-14-4-20(2)31-27;1-17-3-13-23(30-17)19-5-9-21(10-6-19)29(25-27-15-26-16-28-25)22-11-7-20(8-12-22)24-14-4-18(2)31-24/h11-34H,5-10H2,1-4H3;3-32H,1-2H3;3-28H,1-2H3;3-23H,1-2H3;3-19,29-30H,1-2H3;3-19H,1-2H3;3-18H,1-2H3;3-16H,1-2H3.
What are the key properties of 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline?
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline has a molecular weight of 4116.66 g/mol, XLogP of 83.66, 56 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine;1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]pyridin-4-amine;N,N-bis[4-(5-methylthiophen-2-yl)phenyl]-1,3,5-triazin-2-amine;4-(5-methylfuran-2-yl)-N-[4-(5-methylfuran-2-yl)phenyl]-N-phenylaniline;4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline;4-(5-methyl-1H-pyrrol-2-yl)-N-[4-(5-methyl-1H-pyrrol-2-yl)phenyl]-N-phenylaniline;N-[4-(5-methylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 157376346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).