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

C50H35N3O — CID 59228303

IUPACN,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2cccc(-c3nnc(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)c2)cc1
InChIInChI=1S/C50H35N3O/c1-4-15-36(16-5-1)40-17-14-18-41(35-40)50-52-51-49(54-50)39-29-27-37(28-30-39)45-23-10-12-25-47(45)48-26-13-11-24-46(48)38-31-33-44(34-32-38)53(42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-35H
InChIKeySVGBXUCOVZNBMQ-UHFFFAOYSA-N
MW693.85 g/mol
LogP13.54
Rot. Bonds9

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

N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline (PubChem CID 59228303) has the molecular formula C50H35N3O and a molecular weight of 693.85 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
PubChem CID59228303
Molecular FormulaC50H35N3O
Molecular Weight693.85 g/mol
Exact Mass693.28
IUPAC NameN,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2cccc(-c3nnc(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)c2)cc1
InChIInChI=1S/C50H35N3O/c1-4-15-36(16-5-1)40-17-14-18-41(35-40)50-52-51-49(54-50)39-29-27-37(28-30-39)45-23-10-12-25-47(45)48-26-13-11-24-46(48)38-31-33-44(34-32-38)53(42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-35H
InChIKeySVGBXUCOVZNBMQ-UHFFFAOYSA-N
XLogP13.54
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 513.54
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
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
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
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
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline (CID 59228303) is N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline is c1ccc(-c2cccc(-c3nnc(-c4ccc(-c5ccccc5-c5ccccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)c2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline?
The InChIKey is SVGBXUCOVZNBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3O/c1-4-15-36(16-5-1)40-17-14-18-41(35-40)50-52-51-49(54-50)39-29-27-37(28-30-39)45-23-10-12-25-47(45)48-26-13-11-24-46(48)38-31-33-44(34-32-38)53(42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-35H.
What are the key properties of N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline?
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline has a molecular weight of 693.85 g/mol, XLogP of 13.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 59228303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).