3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole — IUPAC name, SMILES, InChIKey & properties

Name: 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole

3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole (PubChem CID 159854798) has the molecular formula C150H141F9N14O3Si and a molecular weight of 2386.94 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole.

Molecular Properties

Compound Name	3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole
PubChem CID	159854798
Molecular Formula	C150H141F9N14O3Si
Molecular Weight	2386.94 g/mol
Exact Mass	2385.09
IUPAC Name	3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole
SMILES	CC.CC.CC.CC.CC.CC.CC.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.FC(F)(F)c1cc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(-c2ncc(-c3ccccc3)n2-c2ccccc2)cc1.c1ccc(-c2cnc(-c3ccccc3)o2)cc1.c1ccc(-c2cnc(-c3cccnc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChI	InChI=1S/C30H26Si.C22H13F6N3.C22H15F3N2.C20H15N3.C15H11NO.C14H10N2O.C13H9N3O.7C2H6/c1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;23-21(24,25)16-11-15(12-17(13-16)22(26,27)28)20-30-29-19(14-7-3-1-4-8-14)31(20)18-9-5-2-6-10-18;23-22(24,25)18-13-11-17(12-14-18)21-26-15-20(16-7-3-1-4-8-16)27(21)19-9-5-2-6-10-19;1-4-10-16(11-5-1)19-21-22-20(17-12-6-2-7-13-17)23(19)18-14-8-3-9-15-18;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-2-5-11(6-3-1)13-10-16-14(17-13)12-7-4-8-15-9-12;1-2-5-10(6-3-1)12-15-16-13(17-12)11-7-4-8-14-9-11;71-2/h3-22H,1-2H3;1-13H;1-15H;1-15H;1-11H;1-10H;1-9H;71-2H3
InChIKey	NQJRUQGWFWCOTO-UHFFFAOYSA-N
XLogP	42.87
TPSA	196.00 Å²
H-Bond Donors
H-Bond Acceptors	17
Rotatable Bonds	19
Heavy Atoms	177
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2386.94
LogP ≤ 5	42.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole?

The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole (CID 159854798) is 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole.

What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole?

The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.FC(F)(F)c1cc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(-c2ncc(-c3ccccc3)n2-c2ccccc2)cc1.c1ccc(-c2cnc(-c3ccccc3)o2)cc1.c1ccc(-c2cnc(-c3cccnc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3cccnc3)o2)cc1.

What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole?

The InChIKey is NQJRUQGWFWCOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Si.C22H13F6N3.C22H15F3N2.C20H15N3.C15H11NO.C14H10N2O.C13H9N3O.7C2H6/c1-31(2)29(25-19-11-5-12-20-25)27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)30(31)26-21-13-6-14-22-26;23-21(24,25)16-11-15(12-17(13-16)22(26,27)28)20-30-29-19(14-7-3-1-4-8-14)31(20)18-9-5-2-6-10-18;23-22(24,25)18-13-11-17(12-14-18)21-26-15-20(16-7-3-1-4-8-16)27(21)19-9-5-2-6-10-19;1-4-10-16(11-5-1)19-21-22-20(17-12-6-2-7-13-17)23(19)18-14-8-3-9-15-18;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-2-5-11(6-3-1)13-10-16-14(17-13)12-7-4-8-15-9-12;1-2-5-10(6-3-1)12-15-16-13(17-12)11-7-4-8-14-9-11;7*1-2/h3-22H,1-2H3;1-13H;1-15H;1-15H;1-11H;1-10H;1-9H;7*1-2H3.

What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole?

Where does this data come from?

All data for 3-[3,5-bis(trifluoromethyl)phenyl]-4,5-diphenyl-1,2,4-triazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;2,5-diphenyl-1,3-oxazole;1,5-diphenyl-2-[4-(trifluoromethyl)phenyl]imidazole;ethane;2-phenyl-5-pyridin-3-yl-1,3,4-oxadiazole;5-phenyl-2-pyridin-3-yl-1,3-oxazole;3,4,5-triphenyl-1,2,4-triazole is sourced from PubChem (CID 159854798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).