2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C38H20F6N8O2 — CID 88864519

IUPAC2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCc1ccnc2c1ccc1c(C(F)(F)F)cc(-c3nnc(-c4cccc(-c5nnc(-c6cc(C(F)(F)F)c7ccc8c(C)ccnc8c7n6)o5)c4)o3)nc12
InChIInChI=1S/C38H20F6N8O2/c1-17-10-12-45-29-21(17)6-8-23-25(37(39,40)41)15-27(47-31(23)29)35-51-49-33(53-35)19-4-3-5-20(14-19)34-50-52-36(54-34)28-16-26(38(42,43)44)24-9-7-22-18(2)11-13-46-30(22)32(24)48-28/h3-16H,1-2H3
InChIKeyZNCRTFQZBCWZFY-UHFFFAOYSA-N
MW734.62 g/mol
LogP9.97
Rot. Bonds4

About 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 88864519) has the molecular formula C38H20F6N8O2 and a molecular weight of 734.62 g/mol. Its IUPAC name is 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID88864519
Molecular FormulaC38H20F6N8O2
Molecular Weight734.62 g/mol
Exact Mass734.16
IUPAC Name2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCc1ccnc2c1ccc1c(C(F)(F)F)cc(-c3nnc(-c4cccc(-c5nnc(-c6cc(C(F)(F)F)c7ccc8c(C)ccnc8c7n6)o5)c4)o3)nc12
InChIInChI=1S/C38H20F6N8O2/c1-17-10-12-45-29-21(17)6-8-23-25(37(39,40)41)15-27(47-31(23)29)35-51-49-33(53-35)19-4-3-5-20(14-19)34-50-52-36(54-34)28-16-26(38(42,43)44)24-9-7-22-18(2)11-13-46-30(22)32(24)48-28/h3-16H,1-2H3
InChIKeyZNCRTFQZBCWZFY-UHFFFAOYSA-N
XLogP9.97
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.62
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

1,3-Bis[2-(2,2'-bipyridine-6-yl)-1,3,4-oxadiazo-5-yl]benzene
CID 59336462
2,5-Bis(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole
CID 57721824
2,6-Bis[2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-5-yl]pyridine
CID 57865067
2-[7-(Trifluoromethyl)quinolin-2-yl]-5-[3-[5-[7-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865042
2-[6-(Trifluoromethyl)quinolin-2-yl]-5-[3-[5-[6-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865043
2-(3-Fluoroquinolin-2-yl)-5-[3-[5-(3-fluoroquinolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865044
2-[5-(Trifluoromethyl)quinoxalin-2-yl]-5-[3-[5-[5-(trifluoromethyl)quinoxalin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865046
2-[3-(Trifluoromethyl)quinolin-2-yl]-5-[3-[5-[3-(trifluoromethyl)quinolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865048
2-[8-(Trifluoromethyl)quinoxalin-2-yl]-5-[3-[5-[8-(trifluoromethyl)quinoxalin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865050
2-[7-(Trifluoromethyl)quinoxalin-2-yl]-5-[3-[5-[7-(trifluoromethyl)quinoxalin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865057
2-[7-(Trifluoromethyl)quinolin-3-yl]-5-[3-[5-[7-(trifluoromethyl)quinolin-3-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865065
2-(8-Fluoroquinolin-2-yl)-5-[3-[5-(8-fluoroquinolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 57865068

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 88864519) is 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is Cc1ccnc2c1ccc1c(C(F)(F)F)cc(-c3nnc(-c4cccc(-c5nnc(-c6cc(C(F)(F)F)c7ccc8c(C)ccnc8c7n6)o5)c4)o3)nc12.
What is the InChIKey of 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is ZNCRTFQZBCWZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F6N8O2/c1-17-10-12-45-29-21(17)6-8-23-25(37(39,40)41)15-27(47-31(23)29)35-51-49-33(53-35)19-4-3-5-20(14-19)34-50-52-36(54-34)28-16-26(38(42,43)44)24-9-7-22-18(2)11-13-46-30(22)32(24)48-28/h3-16H,1-2H3.
What are the key properties of 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 734.62 g/mol, XLogP of 9.97, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 88864519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).