2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole

C79H69N7O4 — CID 157060082

IUPAC2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole
SMILESC(=C\c1nc2c(ccc3ccccc32)o1)\c1ccccc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C36H34N4O2.C24H22N2O.C19H13NO/c1-35(2,3)29-19-15-27(16-20-29)33-39-37-31(41-33)25-11-7-23(8-12-25)24-9-13-26(14-10-24)32-38-40-34(42-32)28-17-21-30(22-18-28)36(4,5)6;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;1-2-6-14(7-3-1)10-13-18-20-19-16-9-5-4-8-15(16)11-12-17(19)21-18/h7-22H,1-6H3;4-16H,1-3H3;1-13H/b;;13-10-
InChIKeyABFOVIMHRRLKQW-LARMJNLUSA-N
MW1180.47 g/mol
LogP20.90
Rot. Bonds10

About 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole

2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole (PubChem CID 157060082) has the molecular formula C79H69N7O4 and a molecular weight of 1180.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole
PubChem CID157060082
Molecular FormulaC79H69N7O4
Molecular Weight1180.47 g/mol
Exact Mass1179.54
IUPAC Name2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole
SMILESC(=C\c1nc2c(ccc3ccccc32)o1)\c1ccccc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C36H34N4O2.C24H22N2O.C19H13NO/c1-35(2,3)29-19-15-27(16-20-29)33-39-37-31(41-33)25-11-7-23(8-12-25)24-9-13-26(14-10-24)32-38-40-34(42-32)28-17-21-30(22-18-28)36(4,5)6;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;1-2-6-14(7-3-1)10-13-18-20-19-16-9-5-4-8-15(16)11-12-17(19)21-18/h7-22H,1-6H3;4-16H,1-3H3;1-13H/b;;13-10-
InChIKeyABFOVIMHRRLKQW-LARMJNLUSA-N
XLogP20.90
TPSA142.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001180.47
LogP ≤ 520.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole with MolForge

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Related Compounds

2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
2-(2-phenylethenyl)benzo[e][1,3]benzoxazole;thiophene
CID 175372114
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558
N-[(E)-2-benzo[e][1,3]benzoxazol-2-ylethenyl]aniline
CID 127259737
2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-benzo[e][1]benzofuran-2-yl-5-phenyl-1,3,4-oxadiazole
CID 71377583
4-(N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino)benzoic acid
CID 101098774
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole
CID 3893702
CID 159240823
CID 159240823

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole (CID 157060082) is 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole is C(=C\c1nc2c(ccc3ccccc32)o1)\c1ccccc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole?
The InChIKey is ABFOVIMHRRLKQW-LARMJNLUSA-N. The full InChI is InChI=1S/C36H34N4O2.C24H22N2O.C19H13NO/c1-35(2,3)29-19-15-27(16-20-29)33-39-37-31(41-33)25-11-7-23(8-12-25)24-9-13-26(14-10-24)32-38-40-34(42-32)28-17-21-30(22-18-28)36(4,5)6;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;1-2-6-14(7-3-1)10-13-18-20-19-16-9-5-4-8-15(16)11-12-17(19)21-18/h7-22H,1-6H3;4-16H,1-3H3;1-13H/b;;13-10-.
What are the key properties of 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole?
2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole has a molecular weight of 1180.47 g/mol, XLogP of 20.90, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole is sourced from PubChem (CID 157060082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).