1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

C29H24N4O3 — CID 3092892

IUPAC1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3c(O)ccc4ccccc34)n2)cc1OC
InChIInChI=1S/C29H24N4O3/c1-35-27-15-13-21(16-28(27)36-2)25-17-24(20-9-4-3-5-10-20)31-29(32-25)33-30-18-23-22-11-7-6-8-19(22)12-14-26(23)34/h3-18,34H,1-2H3,(H,31,32,33)
InChIKeyZAEMQCWOBJAQED-UHFFFAOYSA-N
MW476.54 g/mol
LogP6.13
Rot. Bonds7

About 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol

1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 3092892) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID3092892
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3c(O)ccc4ccccc34)n2)cc1OC
InChIInChI=1S/C29H24N4O3/c1-35-27-15-13-21(16-28(27)36-2)25-17-24(20-9-4-3-5-10-20)31-29(32-25)33-30-18-23-22-11-7-6-8-19(22)12-14-26(23)34/h3-18,34H,1-2H3,(H,31,32,33)
InChIKeyZAEMQCWOBJAQED-UHFFFAOYSA-N
XLogP6.13
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2848301
1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135533004
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 5189695
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 136750606
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169001
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol (CID 3092892) is 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is COc1ccc(-c2cc(-c3ccccc3)nc(NN=Cc3c(O)ccc4ccccc34)n2)cc1OC.
What is the InChIKey of 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is ZAEMQCWOBJAQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-35-27-15-13-21(16-28(27)36-2)25-17-24(20-9-4-3-5-10-20)31-29(32-25)33-30-18-23-22-11-7-6-8-19(22)12-14-26(23)34/h3-18,34H,1-2H3,(H,31,32,33).
What are the key properties of 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol?
1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 476.54 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 3092892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).