2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole

C78H66N8O — CID 23079582

IUPAC2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3ccccc23)cc1
InChIInChI=1S/C30H27N3.C24H17N3.C24H22N2O/c1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-21H,1-3H3;1-17H;4-16H,1-3H3
InChIKeyPPIXPGFDKADPMA-UHFFFAOYSA-N
MW1131.44 g/mol
LogP19.69
Rot. Bonds10

About 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole

2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole (PubChem CID 23079582) has the molecular formula C78H66N8O and a molecular weight of 1131.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
PubChem CID23079582
Molecular FormulaC78H66N8O
Molecular Weight1131.44 g/mol
Exact Mass1130.54
IUPAC Name2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3ccccc23)cc1
InChIInChI=1S/C30H27N3.C24H17N3.C24H22N2O/c1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-21H,1-3H3;1-17H;4-16H,1-3H3
InChIKeyPPIXPGFDKADPMA-UHFFFAOYSA-N
XLogP19.69
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.44
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole with MolForge

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Related Compounds

2-[3,5-Bis[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;bis(2-(4-methylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole);3-(4-methylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 160011470
2-Phenyl-5-[6,7,16,17-tetraphenyl-15-(5-phenyl-1,3,4-oxadiazol-2-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaen-8-yl]-1,3,4-oxadiazole
CID 58161141
2-Phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 58692859
2-[4-(4,5-Diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 58692863
2-[4-[4-(4-Isocyanophenyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 58692864
4-[4-Phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]benzonitrile
CID 58692865
2-Phenyl-5-[4-[4-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-1,3,4-oxadiazole
CID 58692867
2-Cyclohexa-1,5-dien-1-yl-5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-1,3,4-oxadiazole
CID 69959388
2-[4-(5-Cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70992965
2-(4-Tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 88159762
2-[4-(4,5-Diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 90897050
5-(4-Tert-butylphenyl)-2-(4-phenylphenyl)-3-[3-phenyl-2-[3-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]-3a,7a-dihydrobenzimidazol-5-yl]-1,3,4-oxadiazol-3-ium
CID 91127809

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole (CID 23079582) is 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole?
The InChIKey is PPIXPGFDKADPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3.C24H17N3.C24H22N2O/c1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-21H,1-3H3;1-17H;4-16H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole?
2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole has a molecular weight of 1131.44 g/mol, XLogP of 19.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 23079582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).