4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline

C48H39N3O — CID 59228323

IUPAC4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)cc1
InChIInChI=1S/C48H39N3O/c1-3-34-18-28-40(29-19-34)51(41-30-20-35(4-2)21-31-41)42-32-26-37(27-33-42)44-15-9-11-17-46(44)45-16-10-8-14-43(45)36-22-24-39(25-23-36)48-50-49-47(52-48)38-12-6-5-7-13-38/h5-33H,3-4H2,1-2H3
InChIKeyDXZYWQZASVUMQP-UHFFFAOYSA-N
MW673.86 g/mol
LogP13.00
Rot. Bonds10

About 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline

4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline (PubChem CID 59228323) has the molecular formula C48H39N3O and a molecular weight of 673.86 g/mol. Its IUPAC name is 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
PubChem CID59228323
Molecular FormulaC48H39N3O
Molecular Weight673.86 g/mol
Exact Mass673.31
IUPAC Name4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)cc1
InChIInChI=1S/C48H39N3O/c1-3-34-18-28-40(29-19-34)51(41-30-20-35(4-2)21-31-41)42-32-26-37(27-33-42)44-15-9-11-17-46(44)45-16-10-8-14-43(45)36-22-24-39(25-23-36)48-50-49-47(52-48)38-12-6-5-7-13-38/h5-33H,3-4H2,1-2H3
InChIKeyDXZYWQZASVUMQP-UHFFFAOYSA-N
XLogP13.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 59228387
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
N-[4-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]phenyl]-4-ethyl-N-(4-ethylphenyl)aniline
CID 59228567
N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102034905
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
CID 58903757
4-[3-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]-N,N-diphenylaniline
CID 132849862
1-(4-ethylphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827438
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline?
The IUPAC name of 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline (CID 59228323) is 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline?
The canonical SMILES for 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline is CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline?
The InChIKey is DXZYWQZASVUMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N3O/c1-3-34-18-28-40(29-19-34)51(41-30-20-35(4-2)21-31-41)42-32-26-37(27-33-42)44-15-9-11-17-46(44)45-16-10-8-14-43(45)36-22-24-39(25-23-36)48-50-49-47(52-48)38-12-6-5-7-13-38/h5-33H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline?
4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline has a molecular weight of 673.86 g/mol, XLogP of 13.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 59228323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).