4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine

C323H321N61O4S7 — CID 158391622

IUPAC4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine
SMILESC/C(N)=N\CCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCCN=C(N)N)c5)c4)s3)c2)c1.CCCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCCN)c5)c4)s3)c2)c1.CCCc1cccc(-c2cncc(-c3cccc(-c4cncc(-c5cccc(CCN)c5)c4)c3)c2)c1.NC(N)=NCCCOc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(OCCCN=C(N)N)c5)c4)s3)c2)c1.NC(N)=NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN=C(N)N)c5)ncn4)s3)ncn2)c1.NC(N)=NCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCN=C(N)N)c5)c4)s3)c2)c1.NCCCOc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(OCCCN)c5)c4)s3)c2)c1.NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN)c5)ncn4)cc3)ncn2)c1.NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN)c5)ncn4)s3)ncn2)c1.[H]/N=C(\N)CCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CC/N=C(\C)N)c5)c4)cc3)c2)c1
InChIInChI=1S/C36H36N6.C35H37N7S.C34H36N8O2S.C33H33N3S.C33H31N3.C32H32N8S.C32H32N4O2S.C30H30N10S.C30H28N6.C28H26N6S/c1-25(37)42-16-15-27-6-3-9-31(18-27)35-20-33(22-41-24-35)29-13-11-28(12-14-29)32-19-34(23-40-21-32)30-8-2-5-26(17-30)7-4-10-36(38)39;1-24(36)41-14-4-8-25-6-2-10-27(16-25)29-18-31(22-39-20-29)33-12-13-34(43-33)32-19-30(21-40-23-32)28-11-3-7-26(17-28)9-5-15-42-35(37)38;35-33(36)41-11-3-13-43-29-7-1-5-23(17-29)25-15-27(21-39-19-25)31-9-10-32(45-31)28-16-26(20-40-22-28)24-6-2-8-30(18-24)44-14-4-12-42-34(37)38;1-2-3-7-24-8-4-11-26(16-24)28-18-30(22-35-20-28)32-13-14-33(37-32)31-19-29(21-36-23-31)27-12-5-9-25(17-27)10-6-15-34;1-2-6-24-7-3-9-26(15-24)30-18-32(22-35-20-30)28-11-5-12-29(17-28)33-19-31(21-36-23-33)27-10-4-8-25(16-27)13-14-34;33-31(34)39-11-9-21-3-1-5-23(13-21)25-15-27(19-37-17-25)29-7-8-30(41-29)28-16-26(18-38-20-28)24-6-2-4-22(14-24)10-12-40-32(35)36;33-11-3-13-37-29-7-1-5-23(17-29)25-15-27(21-35-19-25)31-9-10-32(39-31)28-16-26(20-36-22-28)24-6-2-8-30(18-24)38-14-4-12-34;31-29(32)35-11-9-19-3-1-5-21(13-19)23-15-25(39-17-37-23)27-7-8-28(41-27)26-16-24(38-18-40-26)22-6-2-4-20(14-22)10-12-36-30(33)34;31-13-11-21-3-1-5-25(15-21)29-17-27(33-19-35-29)23-7-9-24(10-8-23)28-18-30(36-20-34-28)26-6-2-4-22(16-26)12-14-32;29-11-9-19-3-1-5-21(13-19)23-15-25(33-17-31-23)27-7-8-28(35-27)26-16-24(32-18-34-26)22-6-2-4-20(14-22)10-12-30/h2-3,5-6,8-9,11-14,17-24H,4,7,10,15-16H2,1H3,(H2,37,42)(H3,38,39);2-3,6-7,10-13,16-23H,4-5,8-9,14-15H2,1H3,(H2,36,41)(H4,37,38,42);1-2,5-10,15-22H,3-4,11-14H2,(H4,35,36,41)(H4,37,38,42);4-5,8-9,11-14,16-23H,2-3,6-7,10,15,34H2,1H3;3-5,7-12,15-23H,2,6,13-14,34H2,1H3;1-8,13-20H,9-12H2,(H4,33,34,39)(H4,35,36,40);1-2,5-10,15-22H,3-4,11-14,33-34H2;1-8,13-18H,9-12H2,(H4,31,32,35)(H4,33,34,36);1-10,15-20H,11-14,31-32H2;1-8,13-18H,9-12,29-30H2
InChIKeyGXALYOCSVFASET-UHFFFAOYSA-N
MW5346.01 g/mol
LogP60.44
Rot. Bonds103

About 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine

4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine (PubChem CID 158391622) has the molecular formula C323H321N61O4S7 and a molecular weight of 5346.01 g/mol. Its IUPAC name is 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine.

Molecular Properties

Compound Name4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine
PubChem CID158391622
Molecular FormulaC323H321N61O4S7
Molecular Weight5346.01 g/mol
Exact Mass5341.48
IUPAC Name4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine
SMILESC/C(N)=N\CCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCCN=C(N)N)c5)c4)s3)c2)c1.CCCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCCN)c5)c4)s3)c2)c1.CCCc1cccc(-c2cncc(-c3cccc(-c4cncc(-c5cccc(CCN)c5)c4)c3)c2)c1.NC(N)=NCCCOc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(OCCCN=C(N)N)c5)c4)s3)c2)c1.NC(N)=NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN=C(N)N)c5)ncn4)s3)ncn2)c1.NC(N)=NCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCN=C(N)N)c5)c4)s3)c2)c1.NCCCOc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(OCCCN)c5)c4)s3)c2)c1.NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN)c5)ncn4)cc3)ncn2)c1.NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN)c5)ncn4)s3)ncn2)c1.[H]/N=C(\N)CCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CC/N=C(\C)N)c5)c4)cc3)c2)c1
InChIInChI=1S/C36H36N6.C35H37N7S.C34H36N8O2S.C33H33N3S.C33H31N3.C32H32N8S.C32H32N4O2S.C30H30N10S.C30H28N6.C28H26N6S/c1-25(37)42-16-15-27-6-3-9-31(18-27)35-20-33(22-41-24-35)29-13-11-28(12-14-29)32-19-34(23-40-21-32)30-8-2-5-26(17-30)7-4-10-36(38)39;1-24(36)41-14-4-8-25-6-2-10-27(16-25)29-18-31(22-39-20-29)33-12-13-34(43-33)32-19-30(21-40-23-32)28-11-3-7-26(17-28)9-5-15-42-35(37)38;35-33(36)41-11-3-13-43-29-7-1-5-23(17-29)25-15-27(21-39-19-25)31-9-10-32(45-31)28-16-26(20-40-22-28)24-6-2-8-30(18-24)44-14-4-12-42-34(37)38;1-2-3-7-24-8-4-11-26(16-24)28-18-30(22-35-20-28)32-13-14-33(37-32)31-19-29(21-36-23-31)27-12-5-9-25(17-27)10-6-15-34;1-2-6-24-7-3-9-26(15-24)30-18-32(22-35-20-30)28-11-5-12-29(17-28)33-19-31(21-36-23-33)27-10-4-8-25(16-27)13-14-34;33-31(34)39-11-9-21-3-1-5-23(13-21)25-15-27(19-37-17-25)29-7-8-30(41-29)28-16-26(18-38-20-28)24-6-2-4-22(14-24)10-12-40-32(35)36;33-11-3-13-37-29-7-1-5-23(17-29)25-15-27(21-35-19-25)31-9-10-32(39-31)28-16-26(20-36-22-28)24-6-2-8-30(18-24)38-14-4-12-34;31-29(32)35-11-9-19-3-1-5-21(13-19)23-15-25(39-17-37-23)27-7-8-28(41-27)26-16-24(38-18-40-26)22-6-2-4-20(14-22)10-12-36-30(33)34;31-13-11-21-3-1-5-25(15-21)29-17-27(33-19-35-29)23-7-9-24(10-8-23)28-18-30(36-20-34-28)26-6-2-4-22(16-26)12-14-32;29-11-9-19-3-1-5-21(13-19)23-15-25(33-17-31-23)27-7-8-28(35-27)26-16-24(32-18-34-26)22-6-2-4-20(14-22)10-12-30/h2-3,5-6,8-9,11-14,17-24H,4,7,10,15-16H2,1H3,(H2,37,42)(H3,38,39);2-3,6-7,10-13,16-23H,4-5,8-9,14-15H2,1H3,(H2,36,41)(H4,37,38,42);1-2,5-10,15-22H,3-4,11-14H2,(H4,35,36,41)(H4,37,38,42);4-5,8-9,11-14,16-23H,2-3,6-7,10,15,34H2,1H3;3-5,7-12,15-23H,2,6,13-14,34H2,1H3;1-8,13-20H,9-12H2,(H4,33,34,39)(H4,35,36,40);1-2,5-10,15-22H,3-4,11-14,33-34H2;1-8,13-18H,9-12H2,(H4,31,32,35)(H4,33,34,36);1-10,15-20H,11-14,31-32H2;1-8,13-18H,9-12,29-30H2
InChIKeyGXALYOCSVFASET-UHFFFAOYSA-N
XLogP60.44
TPSA1157.65 Ų
H-Bond Donors26
H-Bond Acceptors55
Rotatable Bonds103
Heavy Atoms395
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005346.01
LogP ≤ 560.44
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1055

Analyze 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine with MolForge

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What is the IUPAC name of 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine?
The IUPAC name of 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine (CID 158391622) is 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine.
What is the SMILES notation for 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine?
The canonical SMILES for 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine is C/C(N)=N\CCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCCN=C(N)N)c5)c4)s3)c2)c1.CCCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCCN)c5)c4)s3)c2)c1.CCCc1cccc(-c2cncc(-c3cccc(-c4cncc(-c5cccc(CCN)c5)c4)c3)c2)c1.NC(N)=NCCCOc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(OCCCN=C(N)N)c5)c4)s3)c2)c1.NC(N)=NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN=C(N)N)c5)ncn4)s3)ncn2)c1.NC(N)=NCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CCN=C(N)N)c5)c4)s3)c2)c1.NCCCOc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(OCCCN)c5)c4)s3)c2)c1.NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN)c5)ncn4)cc3)ncn2)c1.NCCc1cccc(-c2cc(-c3ccc(-c4cc(-c5cccc(CCN)c5)ncn4)s3)ncn2)c1.[H]/N=C(\N)CCCc1cccc(-c2cncc(-c3ccc(-c4cncc(-c5cccc(CC/N=C(\C)N)c5)c4)cc3)c2)c1.
What is the InChIKey of 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine?
The InChIKey is GXALYOCSVFASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6.C35H37N7S.C34H36N8O2S.C33H33N3S.C33H31N3.C32H32N8S.C32H32N4O2S.C30H30N10S.C30H28N6.C28H26N6S/c1-25(37)42-16-15-27-6-3-9-31(18-27)35-20-33(22-41-24-35)29-13-11-28(12-14-29)32-19-34(23-40-21-32)30-8-2-5-26(17-30)7-4-10-36(38)39;1-24(36)41-14-4-8-25-6-2-10-27(16-25)29-18-31(22-39-20-29)33-12-13-34(43-33)32-19-30(21-40-23-32)28-11-3-7-26(17-28)9-5-15-42-35(37)38;35-33(36)41-11-3-13-43-29-7-1-5-23(17-29)25-15-27(21-39-19-25)31-9-10-32(45-31)28-16-26(20-40-22-28)24-6-2-8-30(18-24)44-14-4-12-42-34(37)38;1-2-3-7-24-8-4-11-26(16-24)28-18-30(22-35-20-28)32-13-14-33(37-32)31-19-29(21-36-23-31)27-12-5-9-25(17-27)10-6-15-34;1-2-6-24-7-3-9-26(15-24)30-18-32(22-35-20-30)28-11-5-12-29(17-28)33-19-31(21-36-23-33)27-10-4-8-25(16-27)13-14-34;33-31(34)39-11-9-21-3-1-5-23(13-21)25-15-27(19-37-17-25)29-7-8-30(41-29)28-16-26(18-38-20-28)24-6-2-4-22(14-24)10-12-40-32(35)36;33-11-3-13-37-29-7-1-5-23(17-29)25-15-27(21-35-19-25)31-9-10-32(39-31)28-16-26(20-36-22-28)24-6-2-8-30(18-24)38-14-4-12-34;31-29(32)35-11-9-19-3-1-5-21(13-19)23-15-25(39-17-37-23)27-7-8-28(41-27)26-16-24(38-18-40-26)22-6-2-4-20(14-22)10-12-36-30(33)34;31-13-11-21-3-1-5-25(15-21)29-17-27(33-19-35-29)23-7-9-24(10-8-23)28-18-30(36-20-34-28)26-6-2-4-22(16-26)12-14-32;29-11-9-19-3-1-5-21(13-19)23-15-25(33-17-31-23)27-7-8-28(35-27)26-16-24(32-18-34-26)22-6-2-4-20(14-22)10-12-30/h2-3,5-6,8-9,11-14,17-24H,4,7,10,15-16H2,1H3,(H2,37,42)(H3,38,39);2-3,6-7,10-13,16-23H,4-5,8-9,14-15H2,1H3,(H2,36,41)(H4,37,38,42);1-2,5-10,15-22H,3-4,11-14H2,(H4,35,36,41)(H4,37,38,42);4-5,8-9,11-14,16-23H,2-3,6-7,10,15,34H2,1H3;3-5,7-12,15-23H,2,6,13-14,34H2,1H3;1-8,13-20H,9-12H2,(H4,33,34,39)(H4,35,36,40);1-2,5-10,15-22H,3-4,11-14,33-34H2;1-8,13-18H,9-12H2,(H4,31,32,35)(H4,33,34,36);1-10,15-20H,11-14,31-32H2;1-8,13-18H,9-12,29-30H2.
What are the key properties of 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine?
4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine has a molecular weight of 5346.01 g/mol, XLogP of 60.44, 103 rotatable bonds, 26 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-[4-[5-[3-[2-(1-aminoethylideneamino)ethyl]phenyl]-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]butanimidamide;2-[3-[6-[4-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]ethanamine;2-[3-[6-[5-[6-[3-(2-aminoethyl)phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethanamine;3-[3-[5-[5-[5-[3-(3-aminopropoxy)phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propan-1-amine;3-[3-[5-[5-[5-(3-butylphenyl)-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propan-1-amine;2-[2-[3-[5-[5-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]ethyl]guanidine;2-[2-[3-[6-[5-[6-[3-[2-(diaminomethylideneamino)ethyl]phenyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-4-yl]phenyl]ethyl]guanidine;2-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propoxy]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenoxy]propyl]guanidine;N'-[3-[3-[5-[5-[5-[3-[3-(diaminomethylideneamino)propyl]phenyl]-3-pyridinyl]thiophen-2-yl]-3-pyridinyl]phenyl]propyl]ethanimidamide;2-[3-[5-[3-[5-(3-propylphenyl)-3-pyridinyl]phenyl]-3-pyridinyl]phenyl]ethanamine is sourced from PubChem (CID 158391622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).