3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline

C26H26N4O2 — CID 57321576

IUPAC3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
SMILESCOc1ccc(Nc2ccc(NNc3ccc(Nc4ccccc4)cc3OC)cc2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-24-15-12-21(13-16-24)27-20-8-10-22(11-9-20)29-30-25-17-14-23(18-26(25)32-2)28-19-6-4-3-5-7-19/h3-18,27-30H,1-2H3
InChIKeyDEMRNIOEPKPPAR-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.63
Rot. Bonds9

About 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline

3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline (PubChem CID 57321576) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline.

Molecular Properties

Compound Name3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
PubChem CID57321576
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
SMILESCOc1ccc(Nc2ccc(NNc3ccc(Nc4ccccc4)cc3OC)cc2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-24-15-12-21(13-16-24)27-20-8-10-22(11-9-20)29-30-25-17-14-23(18-26(25)32-2)28-19-6-4-3-5-7-19/h3-18,27-30H,1-2H3
InChIKeyDEMRNIOEPKPPAR-UHFFFAOYSA-N
XLogP6.63
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
CID 154558823
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)hydrazine
CID 67614674
1-(4-anilino-2-methoxyphenyl)-3-methylurea
CID 110178450
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
3-(4-methoxyanilino)phenol
CID 15574559
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline?
The IUPAC name of 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline (CID 57321576) is 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline.
What is the SMILES notation for 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline?
The canonical SMILES for 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline is COc1ccc(Nc2ccc(NNc3ccc(Nc4ccccc4)cc3OC)cc2)cc1.
What is the InChIKey of 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline?
The InChIKey is DEMRNIOEPKPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-31-24-15-12-21(13-16-24)27-20-8-10-22(11-9-20)29-30-25-17-14-23(18-26(25)32-2)28-19-6-4-3-5-7-19/h3-18,27-30H,1-2H3.
What are the key properties of 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline?
3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline has a molecular weight of 426.52 g/mol, XLogP of 6.63, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline is sourced from PubChem (CID 57321576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).