2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole

C216H272N32S16 — CID 161296818

IUPAC2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
SMILESCCCCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCCCC)s4)cc3c2)s1.CCCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCCC)s4)cc3c2)s1.CCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCC)s4)cc3c2)s1.CCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCC)s4)cc3c2)s1.CCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCC)s4)cc3c2)s1.CCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCC)s4)cc3c2)s1.CCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCC)s4)cc3c2)s1.CCCc1nnc(-c2ccc3ccc(-c4nnc(CCC)s4)cc3c2)s1
InChIInChI=1S/C34H48N4S2.C32H44N4S2.C30H40N4S2.C28H36N4S2.C26H32N4S2.C24H28N4S2.C22H24N4S2.C20H20N4S2/c1-3-5-7-9-11-13-15-17-19-31-35-37-33(39-31)28-23-21-27-22-24-29(26-30(27)25-28)34-38-36-32(40-34)20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-29-33-35-31(37-29)26-21-19-25-20-22-27(24-28(25)23-26)32-36-34-30(38-32)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-27-31-33-29(35-27)24-19-17-23-18-20-25(22-26(23)21-24)30-34-32-28(36-30)16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-25-29-31-27(33-25)22-17-15-21-16-18-23(20-24(21)19-22)28-32-30-26(34-28)14-12-10-8-6-4-2;1-3-5-7-9-11-23-27-29-25(31-23)20-15-13-19-14-16-21(18-22(19)17-20)26-30-28-24(32-26)12-10-8-6-4-2;1-3-5-7-9-21-25-27-23(29-21)18-13-11-17-12-14-19(16-20(17)15-18)24-28-26-22(30-24)10-8-6-4-2;1-3-5-7-19-23-25-21(27-19)16-11-9-15-10-12-17(14-18(15)13-16)22-26-24-20(28-22)8-6-4-2;1-3-5-17-21-23-19(25-17)14-9-7-13-8-10-15(12-16(13)11-14)20-24-22-18(26-20)6-4-2/h21-26H,3-20H2,1-2H3;19-24H,3-18H2,1-2H3;17-22H,3-16H2,1-2H3;15-20H,3-14H2,1-2H3;13-18H,3-12H2,1-2H3;11-16H,3-10H2,1-2H3;9-14H,3-8H2,1-2H3;7-12H,3-6H2,1-2H3
InChIKeyVHBVEUFMLAEWSZ-UHFFFAOYSA-N
MW3829.85 g/mol
LogP68.10
Rot. Bonds104

About 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole

2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole (PubChem CID 161296818) has the molecular formula C216H272N32S16 and a molecular weight of 3829.85 g/mol. Its IUPAC name is 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
PubChem CID161296818
Molecular FormulaC216H272N32S16
Molecular Weight3829.85 g/mol
Exact Mass3825.78
IUPAC Name2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
SMILESCCCCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCCCC)s4)cc3c2)s1.CCCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCCC)s4)cc3c2)s1.CCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCC)s4)cc3c2)s1.CCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCC)s4)cc3c2)s1.CCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCC)s4)cc3c2)s1.CCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCC)s4)cc3c2)s1.CCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCC)s4)cc3c2)s1.CCCc1nnc(-c2ccc3ccc(-c4nnc(CCC)s4)cc3c2)s1
InChIInChI=1S/C34H48N4S2.C32H44N4S2.C30H40N4S2.C28H36N4S2.C26H32N4S2.C24H28N4S2.C22H24N4S2.C20H20N4S2/c1-3-5-7-9-11-13-15-17-19-31-35-37-33(39-31)28-23-21-27-22-24-29(26-30(27)25-28)34-38-36-32(40-34)20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-29-33-35-31(37-29)26-21-19-25-20-22-27(24-28(25)23-26)32-36-34-30(38-32)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-27-31-33-29(35-27)24-19-17-23-18-20-25(22-26(23)21-24)30-34-32-28(36-30)16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-25-29-31-27(33-25)22-17-15-21-16-18-23(20-24(21)19-22)28-32-30-26(34-28)14-12-10-8-6-4-2;1-3-5-7-9-11-23-27-29-25(31-23)20-15-13-19-14-16-21(18-22(19)17-20)26-30-28-24(32-26)12-10-8-6-4-2;1-3-5-7-9-21-25-27-23(29-21)18-13-11-17-12-14-19(16-20(17)15-18)24-28-26-22(30-24)10-8-6-4-2;1-3-5-7-19-23-25-21(27-19)16-11-9-15-10-12-17(14-18(15)13-16)22-26-24-20(28-22)8-6-4-2;1-3-5-17-21-23-19(25-17)14-9-7-13-8-10-15(12-16(13)11-14)20-24-22-18(26-20)6-4-2/h21-26H,3-20H2,1-2H3;19-24H,3-18H2,1-2H3;17-22H,3-16H2,1-2H3;15-20H,3-14H2,1-2H3;13-18H,3-12H2,1-2H3;11-16H,3-10H2,1-2H3;9-14H,3-8H2,1-2H3;7-12H,3-6H2,1-2H3
InChIKeyVHBVEUFMLAEWSZ-UHFFFAOYSA-N
XLogP68.10
TPSA412.48 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds104
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003829.85
LogP ≤ 568.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
CID 58037405
2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037401
2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
CID 58037386
2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037272
2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)phenanthren-2-yl]-1,3,4-thiadiazole
CID 58037423
2-butyl-5-[6-(5-butyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[2,3,4,6,7,8-hexafluoro-5-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-1-yl]-1,3,4-thiadiazole;2-ethyl-5-[6-(5-ethyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[6-(5-heptyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[6-(5-hexyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[6-(5-octyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[6-(5-pentyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
CID 162201923
2-(4-decoxyphenyl)-5-hexyl-1,3,4-thiadiazole
CID 18997761
2-(4-decoxyphenyl)-5-pentyl-1,3,4-thiadiazole
CID 18997783
2-(4-decoxyphenyl)-5-octyl-1,3,4-thiadiazole
CID 56978549
2-butyl-5-(4-ethylphenyl)-1,3,4-thiadiazole
CID 19880000
2-[4-(5-heptylpyrimidin-2-yl)phenyl]-5-hexyl-1,3,4-thiadiazole
CID 19979815
2-[4-(4-octoxyphenyl)phenyl]-5-pentyl-1,3,4-thiadiazole
CID 14418890

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole (CID 161296818) is 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole is CCCCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCCCC)s4)cc3c2)s1.CCCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCCC)s4)cc3c2)s1.CCCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCCC)s4)cc3c2)s1.CCCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCCC)s4)cc3c2)s1.CCCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCCC)s4)cc3c2)s1.CCCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCCC)s4)cc3c2)s1.CCCCc1nnc(-c2ccc3ccc(-c4nnc(CCCC)s4)cc3c2)s1.CCCc1nnc(-c2ccc3ccc(-c4nnc(CCC)s4)cc3c2)s1.
What is the InChIKey of 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
The InChIKey is VHBVEUFMLAEWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N4S2.C32H44N4S2.C30H40N4S2.C28H36N4S2.C26H32N4S2.C24H28N4S2.C22H24N4S2.C20H20N4S2/c1-3-5-7-9-11-13-15-17-19-31-35-37-33(39-31)28-23-21-27-22-24-29(26-30(27)25-28)34-38-36-32(40-34)20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-29-33-35-31(37-29)26-21-19-25-20-22-27(24-28(25)23-26)32-36-34-30(38-32)18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-27-31-33-29(35-27)24-19-17-23-18-20-25(22-26(23)21-24)30-34-32-28(36-30)16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-25-29-31-27(33-25)22-17-15-21-16-18-23(20-24(21)19-22)28-32-30-26(34-28)14-12-10-8-6-4-2;1-3-5-7-9-11-23-27-29-25(31-23)20-15-13-19-14-16-21(18-22(19)17-20)26-30-28-24(32-26)12-10-8-6-4-2;1-3-5-7-9-21-25-27-23(29-21)18-13-11-17-12-14-19(16-20(17)15-18)24-28-26-22(30-24)10-8-6-4-2;1-3-5-7-19-23-25-21(27-19)16-11-9-15-10-12-17(14-18(15)13-16)22-26-24-20(28-22)8-6-4-2;1-3-5-17-21-23-19(25-17)14-9-7-13-8-10-15(12-16(13)11-14)20-24-22-18(26-20)6-4-2/h21-26H,3-20H2,1-2H3;19-24H,3-18H2,1-2H3;17-22H,3-16H2,1-2H3;15-20H,3-14H2,1-2H3;13-18H,3-12H2,1-2H3;11-16H,3-10H2,1-2H3;9-14H,3-8H2,1-2H3;7-12H,3-6H2,1-2H3.
What are the key properties of 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole?
2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole has a molecular weight of 3829.85 g/mol, XLogP of 68.10, 104 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 161296818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).