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

C46H32N6O2 — CID 66614461

IUPACN,N-diphenyl-3-[5-[2-[5-[3-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nnc(-c4ccccc4-c4nnc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)o4)o3)c2)cc1
InChIInChI=1S/C46H32N6O2/c1-5-19-35(20-6-1)51(36-21-7-2-8-22-36)39-27-15-17-33(31-39)43-47-49-45(53-43)41-29-13-14-30-42(41)46-50-48-44(54-46)34-18-16-28-40(32-34)52(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyOSRSSJZSUKLZTB-UHFFFAOYSA-N
MW700.80 g/mol
LogP12.06
Rot. Bonds10

About 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

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 (PubChem CID 66614461) has the molecular formula C46H32N6O2 and a molecular weight of 700.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,N-diphenyl-3-[5-[2-[5-[3-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline
PubChem CID66614461
Molecular FormulaC46H32N6O2
Molecular Weight700.80 g/mol
Exact Mass700.26
IUPAC NameN,N-diphenyl-3-[5-[2-[5-[3-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nnc(-c4ccccc4-c4nnc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)o4)o3)c2)cc1
InChIInChI=1S/C46H32N6O2/c1-5-19-35(20-6-1)51(36-21-7-2-8-22-36)39-27-15-17-33(31-39)43-47-49-45(53-43)41-29-13-14-30-42(41)46-50-48-44(54-46)34-18-16-28-40(32-34)52(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyOSRSSJZSUKLZTB-UHFFFAOYSA-N
XLogP12.06
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.80
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
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
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cccc(-c3nnc(-c4ccccc4-c4nnc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)o4)o3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is OSRSSJZSUKLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N6O2/c1-5-19-35(20-6-1)51(36-21-7-2-8-22-36)39-27-15-17-33(31-39)43-47-49-45(53-43)41-29-13-14-30-42(41)46-50-48-44(54-46)34-18-16-28-40(32-34)52(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 700.80 g/mol, XLogP of 12.06, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66614461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).