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

C45H34N4O2 — CID 58903601

IUPAC4-N-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)cc2)cc1
InChIInChI=1S/C45H34N4O2/c1-50-43-31-23-34(24-32-43)33-17-19-35(20-18-33)44-46-47-45(51-44)36-21-25-40(26-22-36)49(39-15-9-4-10-16-39)42-29-27-41(28-30-42)48(37-11-5-2-6-12-37)38-13-7-3-8-14-38/h2-32H,1H3
InChIKeyWCSZHRBNLXAWQO-UHFFFAOYSA-N
MW662.79 g/mol
LogP12.02
Rot. Bonds10

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

4-N-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 58903601) has the molecular formula C45H34N4O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 4-N-[4-[5-[4-(4-methoxyphenyl)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-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID58903601
Molecular FormulaC45H34N4O2
Molecular Weight662.79 g/mol
Exact Mass662.27
IUPAC Name4-N-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)o3)cc2)cc1
InChIInChI=1S/C45H34N4O2/c1-50-43-31-23-34(24-32-43)33-17-19-35(20-18-33)44-46-47-45(51-44)36-21-25-40(26-22-36)49(39-15-9-4-10-16-39)42-29-27-41(28-30-42)48(37-11-5-2-6-12-37)38-13-7-3-8-14-38/h2-32H,1H3
InChIKeyWCSZHRBNLXAWQO-UHFFFAOYSA-N
XLogP12.02
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-[5-[4-(4-methoxyphenyl)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

4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 743142
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
2-(2-methoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1289145
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-[[4-[[2-[2-(Fluoromethyl)-4-methoxyphenyl]acetyl]amino]benzoyl]-[[4-[5-[4-(4-methylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]acetic acid
CID 117695590
4-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 102154766
4-[3-methyl-4-[5-[2-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-diphenylaniline
CID 139237923
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[5-[4-(4-methoxyphenyl)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-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 58903601) is 4-N-[4-[5-[4-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is COc1ccc(-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-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is WCSZHRBNLXAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4O2/c1-50-43-31-23-34(24-32-43)33-17-19-35(20-18-33)44-46-47-45(51-44)36-21-25-40(26-22-36)49(39-15-9-4-10-16-39)42-29-27-41(28-30-42)48(37-11-5-2-6-12-37)38-13-7-3-8-14-38/h2-32H,1H3.
What are the key properties of 4-N-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-[4-[5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 662.79 g/mol, XLogP of 12.02, 10 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-methoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 58903601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).