4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C46H36N4O2 — CID 58903673

IUPAC4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)cc2)cc1
InChIInChI=1S/C46H36N4O2/c1-2-51-44-32-24-35(25-33-44)34-18-20-36(21-19-34)45-47-48-46(52-45)37-22-26-41(27-23-37)50(40-16-10-5-11-17-40)43-30-28-42(29-31-43)49(38-12-6-3-7-13-38)39-14-8-4-9-15-39/h3-33H,2H2,1H3
InChIKeyRJPFCRIIBGFXQE-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.41
Rot. Bonds11

About 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 58903673) has the molecular formula C46H36N4O2 and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID58903673
Molecular FormulaC46H36N4O2
Molecular Weight676.82 g/mol
Exact Mass676.28
IUPAC Name4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)cc2)cc1
InChIInChI=1S/C46H36N4O2/c1-2-51-44-32-24-35(25-33-44)34-18-20-36(21-19-34)45-47-48-46(52-45)37-22-26-41(27-23-37)50(40-16-10-5-11-17-40)43-30-28-42(29-31-43)49(38-12-6-3-7-13-38)39-14-8-4-9-15-39/h3-33H,2H2,1H3
InChIKeyRJPFCRIIBGFXQE-UHFFFAOYSA-N
XLogP12.41
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1294322
2-(4-methoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1230951
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-(propan-2-yloxy)benzamide
CID 25284205
4-ethoxy-N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25284223
N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 25284247
bis-PXZ-OXD
CID 102430157
1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 89253977
2-ethoxy-N-{4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}benzamide
CID 1026537
2-(2-methoxyphenyl)-N-{4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 1026549
2-(4-tert-butylphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 2290497
N-[4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 60147629
3-methoxy-N-[4-(5-{4-[(3-methoxybenzoyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 3091553

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 58903673) is 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is CCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)cc2)cc1.
What is the InChIKey of 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is RJPFCRIIBGFXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4O2/c1-2-51-44-32-24-35(25-33-44)34-18-20-36(21-19-34)45-47-48-46(52-45)37-22-26-41(27-23-37)50(40-16-10-5-11-17-40)43-30-28-42(29-31-43)49(38-12-6-3-7-13-38)39-14-8-4-9-15-39/h3-33H,2H2,1H3.
What are the key properties of 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 676.82 g/mol, XLogP of 12.41, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 58903673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).