N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine

C32H29N5O4 — CID 136916281

IUPACN-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine
SMILESCOc1ccc(/N=N/c2c(-c3ccccc3)n(-c3ccc(OC)cc3)nc/c2=N\c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C32H29N5O4/c1-38-25-14-10-23(11-15-25)35-36-31-29(34-28-19-18-27(40-3)20-30(28)41-4)21-33-37(24-12-16-26(39-2)17-13-24)32(31)22-8-6-5-7-9-22/h5-21H,1-4H3/b34-29+,36-35+
InChIKeyJZSPQXJRAHDQBL-JCYGFXGOSA-N
MW547.62 g/mol
LogP7.22
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine

N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine (PubChem CID 136916281) has the molecular formula C32H29N5O4 and a molecular weight of 547.62 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine
PubChem CID136916281
Molecular FormulaC32H29N5O4
Molecular Weight547.62 g/mol
Exact Mass547.22
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine
SMILESCOc1ccc(/N=N/c2c(-c3ccccc3)n(-c3ccc(OC)cc3)nc/c2=N\c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C32H29N5O4/c1-38-25-14-10-23(11-15-25)35-36-31-29(34-28-19-18-27(40-3)20-30(28)41-4)21-33-37(24-12-16-26(39-2)17-13-24)32(31)22-8-6-5-7-9-22/h5-21H,1-4H3/b34-29+,36-35+
InChIKeyJZSPQXJRAHDQBL-JCYGFXGOSA-N
XLogP7.22
TPSA91.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine (CID 136916281) is N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine is COc1ccc(/N=N/c2c(-c3ccccc3)n(-c3ccc(OC)cc3)nc/c2=N\c2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine?
The InChIKey is JZSPQXJRAHDQBL-JCYGFXGOSA-N. The full InChI is InChI=1S/C32H29N5O4/c1-38-25-14-10-23(11-15-25)35-36-31-29(34-28-19-18-27(40-3)20-30(28)41-4)21-33-37(24-12-16-26(39-2)17-13-24)32(31)22-8-6-5-7-9-22/h5-21H,1-4H3/b34-29+,36-35+.
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine?
N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine has a molecular weight of 547.62 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine is sourced from PubChem (CID 136916281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).