5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole

C174H109N37O4S2 — CID 159056412

IUPAC5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5cccnc5)nc4)c4ccccc34)nnc2-c2ccc(-c3ccc(-c4cccnc4)nc3)c3ccccc23)cc1.c1cncc(-c2ccc(-c3cncc(-c4ccc(-c5cncc(-c6ccc(-c7cccnc7)nc6)n5)cc4)n3)cn2)c1.c1cncc(-c2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(-c7cccnc7)nc6)o5)c4)o3)cn2)c1.c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)o5)c4)o3)cn2)c1.c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1
InChIInChI=1S/C48H31N7.C34H22N8.C32H20N6O2.C30H18N8O2.C30H18N8S2/c1-2-12-36(13-3-1)55-47(43-22-20-37(39-14-4-6-16-41(39)43)32-18-24-45(51-30-32)34-10-8-26-49-28-34)53-54-48(55)44-23-21-38(40-15-5-7-17-42(40)44)33-19-25-46(52-31-33)35-11-9-27-50-29-35;1-3-25(15-35-13-1)29-11-9-27(17-39-29)33-21-37-19-31(41-33)23-5-7-24(8-6-23)32-20-38-22-34(42-32)28-10-12-30(40-18-28)26-4-2-14-36-16-26;1-4-21(29-19-37-31(39-29)25-8-10-27(35-17-25)23-6-2-12-33-15-23)14-22(5-1)30-20-38-32(40-30)26-9-11-28(36-18-26)24-7-3-13-34-16-24;2*1-4-19(27-35-37-29(39-27)23-8-10-25(33-17-23)21-6-2-12-31-15-21)14-20(5-1)28-36-38-30(40-28)24-9-11-26(34-18-24)22-7-3-13-32-16-22/h1-31H;1-22H;1-20H;2*1-18H
InChIKeyJXXJXFIGDAQFQD-UHFFFAOYSA-N
MW2846.17 g/mol
LogP38.26
Rot. Bonds31

About 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole

5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole (PubChem CID 159056412) has the molecular formula C174H109N37O4S2 and a molecular weight of 2846.17 g/mol. Its IUPAC name is 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole
PubChem CID159056412
Molecular FormulaC174H109N37O4S2
Molecular Weight2846.17 g/mol
Exact Mass2843.89
IUPAC Name5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5cccnc5)nc4)c4ccccc34)nnc2-c2ccc(-c3ccc(-c4cccnc4)nc3)c3ccccc23)cc1.c1cncc(-c2ccc(-c3cncc(-c4ccc(-c5cncc(-c6ccc(-c7cccnc7)nc6)n5)cc4)n3)cn2)c1.c1cncc(-c2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(-c7cccnc7)nc6)o5)c4)o3)cn2)c1.c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)o5)c4)o3)cn2)c1.c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1
InChIInChI=1S/C48H31N7.C34H22N8.C32H20N6O2.C30H18N8O2.C30H18N8S2/c1-2-12-36(13-3-1)55-47(43-22-20-37(39-14-4-6-16-41(39)43)32-18-24-45(51-30-32)34-10-8-26-49-28-34)53-54-48(55)44-23-21-38(40-15-5-7-17-42(40)44)33-19-25-46(52-31-33)35-11-9-27-50-29-35;1-3-25(15-35-13-1)29-11-9-27(17-39-29)33-21-37-19-31(41-33)23-5-7-24(8-6-23)32-20-38-22-34(42-32)28-10-12-30(40-18-28)26-4-2-14-36-16-26;1-4-21(29-19-37-31(39-29)25-8-10-27(35-17-25)23-6-2-12-33-15-23)14-22(5-1)30-20-38-32(40-30)26-9-11-28(36-18-26)24-7-3-13-34-16-24;2*1-4-19(27-35-37-29(39-27)23-8-10-25(33-17-23)21-6-2-12-31-15-21)14-20(5-1)28-36-38-30(40-28)24-9-11-26(34-18-24)22-7-3-13-32-16-22/h1-31H;1-22H;1-20H;2*1-18H
InChIKeyJXXJXFIGDAQFQD-UHFFFAOYSA-N
XLogP38.26
TPSA521.53 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002846.17
LogP ≤ 538.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole 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

1-[4-Deuterio-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[1-deuterio-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2,2,3,3,5,5,6-heptadeuterio-6-methylmorpholin-4-yl)ethanone;1-[4-[2-(fluoromethyl)aziridin-1-yl]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(4-methylcyclohexyl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-[methyl(trideuteriomethyl)amino]cyclohexyl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[4-[methyl(trideuteriomethyl)amino]cyclohexyl]ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 157388467
CID 157853447
CID 157853447
5-[4-[4-Phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;5-(6-pyridin-3-yl-3-pyridinyl)-2-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole
CID 158064961
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 159109911
2-Imidazol-1-yl-1-methyl-6-(2-methylphenyl)pyridin-1-ium;3-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-imidazol-1-yl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-oxazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-oxazole;2-[1-methyl-2-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-1,3-thiazole;2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3-thiazole
CID 159790094
2-[6-(2,3-Dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 161237807
4-[2-[9,9-Dimethyl-7-[1-phenyl-5-(2-pyridin-3-yl-4-pyridinyl)imidazol-2-yl]fluoren-2-yl]-3-phenylimidazol-4-yl]-2-pyridin-3-ylpyridine;2-(2-pyridin-3-yl-4-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-4-pyridinyl)-1,3-oxazol-5-yl]naphthalen-1-yl]-1,3-oxazole;2-(2-pyridin-3-yl-4-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-4-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(2-pyridin-3-yl-4-pyridinyl)-6-[4-[6-(2-pyridin-3-yl-4-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(2-pyridin-3-yl-4-pyridinyl)-5-[4-[5-(2-pyridin-3-yl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]naphthalen-1-yl]-1,3,4-thiadiazole;2-(2-pyridin-3-yl-4-pyridinyl)-5-[4-[2-(2-pyridin-3-yl-4-pyridinyl)-1,3-thiazol-5-yl]naphthalen-1-yl]-1,3-thiazole;2-pyridin-3-yl-4-[7-(2-pyridin-3-yl-4-pyridinyl)triphenylen-2-yl]pyridine
CID 161998993
1-hex-1-en-2-yl-3-propan-2-ylbenzene;methane;4-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine;5-[3-(1,3-oxazol-5-yl)-5-propan-2-ylphenyl]-1,3-oxazole;bis(2-phenyl-5-propan-2-yl-1,3,4-oxadiazole);2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;4-piperazin-1-yl-2-propan-2-ylpyrimidine;(3-propan-2-ylphenyl)methanamine;N'-[(4-propan-2-ylphenyl)methyl]ethanimidamide;1-[(3-propan-2-ylphenyl)methyl]piperazine;N-[(4-propan-2-ylphenyl)methyl]prop-1-en-2-amine;N'-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]ethanimidamide;2-propan-2-yl-5-pyridin-2-yl-1,3,4-oxadiazole;1,2,3-tri(propan-2-yl)benzene
CID 162047618

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole?
The IUPAC name of 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole (CID 159056412) is 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole is c1ccc(-n2c(-c3ccc(-c4ccc(-c5cccnc5)nc4)c4ccccc34)nnc2-c2ccc(-c3ccc(-c4cccnc4)nc3)c3ccccc23)cc1.c1cncc(-c2ccc(-c3cncc(-c4ccc(-c5cncc(-c6ccc(-c7cccnc7)nc6)n5)cc4)n3)cn2)c1.c1cncc(-c2ccc(-c3ncc(-c4cccc(-c5cnc(-c6ccc(-c7cccnc7)nc6)o5)c4)o3)cn2)c1.c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)o5)c4)o3)cn2)c1.c1cncc(-c2ccc(-c3nnc(-c4cccc(-c5nnc(-c6ccc(-c7cccnc7)nc6)s5)c4)s3)cn2)c1.
What is the InChIKey of 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole?
The InChIKey is JXXJXFIGDAQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7.C34H22N8.C32H20N6O2.C30H18N8O2.C30H18N8S2/c1-2-12-36(13-3-1)55-47(43-22-20-37(39-14-4-6-16-41(39)43)32-18-24-45(51-30-32)34-10-8-26-49-28-34)53-54-48(55)44-23-21-38(40-15-5-7-17-42(40)44)33-19-25-46(52-31-33)35-11-9-27-50-29-35;1-3-25(15-35-13-1)29-11-9-27(17-39-29)33-21-37-19-31(41-33)23-5-7-24(8-6-23)32-20-38-22-34(42-32)28-10-12-30(40-18-28)26-4-2-14-36-16-26;1-4-21(29-19-37-31(39-29)25-8-10-27(35-17-25)23-6-2-12-33-15-23)14-22(5-1)30-20-38-32(40-30)26-9-11-28(36-18-26)24-7-3-13-34-16-24;2*1-4-19(27-35-37-29(39-27)23-8-10-25(33-17-23)21-6-2-12-31-15-21)14-20(5-1)28-36-38-30(40-28)24-9-11-26(34-18-24)22-7-3-13-32-16-22/h1-31H;1-22H;1-20H;2*1-18H.
What are the key properties of 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole?
5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole has a molecular weight of 2846.17 g/mol, XLogP of 38.26, 31 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-phenyl-5-[4-(6-pyridin-3-yl-3-pyridinyl)naphthalen-1-yl]-1,2,4-triazol-3-yl]naphthalen-1-yl]-2-pyridin-3-ylpyridine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]phenyl]-1,3-oxazole;2-(6-pyridin-3-yl-3-pyridinyl)-6-[4-[6-(6-pyridin-3-yl-3-pyridinyl)pyrazin-2-yl]phenyl]pyrazine;2-(6-pyridin-3-yl-3-pyridinyl)-5-[3-[5-(6-pyridin-3-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 159056412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).