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

C56H39N3O — CID 59228387

IUPAC4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N3O/c1-4-14-40(15-5-1)42-28-34-48(35-29-42)59(49-36-30-43(31-37-49)41-16-6-2-7-17-41)50-38-32-45(33-39-50)52-21-11-13-23-54(52)53-22-12-10-20-51(53)44-24-26-47(27-25-44)56-58-57-55(60-56)46-18-8-3-9-19-46/h1-39H
InChIKeyHVMQQNYGMNORQI-UHFFFAOYSA-N
MW769.95 g/mol
LogP15.21
Rot. Bonds10

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

4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 59228387) has the molecular formula C56H39N3O and a molecular weight of 769.95 g/mol. Its IUPAC name is 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID59228387
Molecular FormulaC56H39N3O
Molecular Weight769.95 g/mol
Exact Mass769.31
IUPAC Name4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H39N3O/c1-4-14-40(15-5-1)42-28-34-48(35-29-42)59(49-36-30-43(31-37-49)41-16-6-2-7-17-41)50-38-32-45(33-39-50)52-21-11-13-23-54(52)53-22-12-10-20-51(53)44-24-26-47(27-25-44)56-58-57-55(60-56)46-18-8-3-9-19-46/h1-39H
InChIKeyHVMQQNYGMNORQI-UHFFFAOYSA-N
XLogP15.21
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.95
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
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,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-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
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
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-3-[5-[2-[5-[3-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 66614461
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 11235423
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 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) is 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is HVMQQNYGMNORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3O/c1-4-14-40(15-5-1)42-28-34-48(35-29-42)59(49-36-30-43(31-37-49)41-16-6-2-7-17-41)50-38-32-45(33-39-50)52-21-11-13-23-54(52)53-22-12-10-20-51(53)44-24-26-47(27-25-44)56-58-57-55(60-56)46-18-8-3-9-19-46/h1-39H.
What are the key properties of 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 769.95 g/mol, XLogP of 15.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 59228387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).