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

C38H28N4O — CID 19808215

IUPACN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C38H28N4O/c1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-39-40-38(43-37)30-23-27-36(28-24-30)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyWQIKBGYJXJUQLR-UHFFFAOYSA-N
MW556.67 g/mol
LogP10.34
Rot. Bonds8

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

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 19808215) has the molecular formula C38H28N4O and a molecular weight of 556.67 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
PubChem CID19808215
Molecular FormulaC38H28N4O
Molecular Weight556.67 g/mol
Exact Mass556.23
IUPAC NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C38H28N4O/c1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-39-40-38(43-37)30-23-27-36(28-24-30)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyWQIKBGYJXJUQLR-UHFFFAOYSA-N
XLogP10.34
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 11235423
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-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102034905
1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine
CID 58903547
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
4-[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]-N,N-diphenylaniline
CID 102044178
4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-N-phenylaniline
CID 132556945
4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102504984
4-[3-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]-N,N-diphenylaniline
CID 132849862
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
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 N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline (CID 19808215) is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is WQIKBGYJXJUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4O/c1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-39-40-38(43-37)30-23-27-36(28-24-30)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H.
What are the key properties of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 556.67 g/mol, XLogP of 10.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 19808215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).