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

C50H36N4O — CID 102034905

IUPACN,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3nnc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C50H36N4O/c1-5-17-39(18-6-1)53(40-19-7-2-8-20-40)43-33-29-37(30-34-43)45-25-13-15-27-47(45)49-51-52-50(55-49)48-28-16-14-26-46(48)38-31-35-44(36-32-38)54(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-36H
InChIKeyNZDBWBMKTVQVHE-UHFFFAOYSA-N
MW708.87 g/mol
LogP13.68
Rot. Bonds10

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

N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline (PubChem CID 102034905) has the molecular formula C50H36N4O and a molecular weight of 708.87 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
PubChem CID102034905
Molecular FormulaC50H36N4O
Molecular Weight708.87 g/mol
Exact Mass708.29
IUPAC NameN,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3nnc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C50H36N4O/c1-5-17-39(18-6-1)53(40-19-7-2-8-20-40)43-33-29-37(30-34-43)45-25-13-15-27-47(45)49-51-52-50(55-49)48-28-16-14-26-46(48)38-31-35-44(36-32-38)54(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-36H
InChIKeyNZDBWBMKTVQVHE-UHFFFAOYSA-N
XLogP13.68
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.87
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
N,N-diphenyl-3-[5-[2-[5-[3-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 66614461
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
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
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
benzenecarboximidoyl 2-[4-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]anilino]phenyl]benzenecarboximidate
CID 145125494
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-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline (CID 102034905) is N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3nnc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
The InChIKey is NZDBWBMKTVQVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4O/c1-5-17-39(18-6-1)53(40-19-7-2-8-20-40)43-33-29-37(30-34-43)45-25-13-15-27-47(45)49-51-52-50(55-49)48-28-16-14-26-46(48)38-31-35-44(36-32-38)54(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-36H.
What are the key properties of N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline?
N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline has a molecular weight of 708.87 g/mol, XLogP of 13.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline is sourced from PubChem (CID 102034905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).