(Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine

C48H42N2 — CID 144650341

IUPAC(Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine
SMILESC=C/C=C(\C)c1cccc(-c2cc(C/N=C(\C=C(/N=C)c3ccccc3)c3ccccc3)cc(-c3cccc4cc(C)c(/C=C\C)cc34)c2)c1
InChIInChI=1S/C48H42N2/c1-6-16-34(3)40-22-14-23-41(29-40)43-27-36(28-44(30-43)45-25-15-24-42-26-35(4)39(17-7-2)31-46(42)45)33-50-48(38-20-12-9-13-21-38)32-47(49-5)37-18-10-8-11-19-37/h6-32H,1,5,33H2,2-4H3/b17-7-,34-16+,47-32-,50-48+
InChIKeyJFRLFIKNYZTQAN-BOJVRFPXSA-N
MW646.88 g/mol
LogP12.84
Rot. Bonds11

About (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine

(Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine (PubChem CID 144650341) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine
PubChem CID144650341
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name(Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine
SMILESC=C/C=C(\C)c1cccc(-c2cc(C/N=C(\C=C(/N=C)c3ccccc3)c3ccccc3)cc(-c3cccc4cc(C)c(/C=C\C)cc34)c2)c1
InChIInChI=1S/C48H42N2/c1-6-16-34(3)40-22-14-23-41(29-40)43-27-36(28-44(30-43)45-25-15-24-42-26-35(4)39(17-7-2)31-46(42)45)33-50-48(38-20-12-9-13-21-38)32-47(49-5)37-18-10-8-11-19-37/h6-32H,1,5,33H2,2-4H3/b17-7-,34-16+,47-32-,50-48+
InChIKeyJFRLFIKNYZTQAN-BOJVRFPXSA-N
XLogP12.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine with MolForge

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Related Compounds

(Z)-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N'-methylidene-N-[(3-naphthalen-1-ylphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]prop-2-ene-1,3-diimine;prop-1-ene
CID 145302581
(Z)-N-benzyl-N'-methylidene-1-(3-phenylphenyl)-3-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]propan-2-yl]phenyl]prop-2-ene-1,3-diimine
CID 145073369
(Z)-N-[[3-[4-(9,9-dimethylxanthen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]methyl]-N'-methylidene-3-phenyl-1-(3-phenylphenyl)prop-2-ene-1,3-diimine
CID 174266519
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-N-methylidene-5-(3-quinolin-7-ylphenyl)benzenecarboximidamide
CID 144775622
(Z)-N-[[3-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]phenyl]-5-[(2E)-2-prop-2-enylidene-1H-acenaphthylen-5-yl]phenyl]methyl]-2-methyl-N'-methylidene-3-(2-methylphenyl)-1-phenylprop-2-ene-1,3-diimine
CID 144806331
(Z)-N-[[3-([1]benzothiolo[3,2-c]quinolin-6-yl)phenyl]methyl]-N'-methylidene-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine
CID 170119088
N'-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-phenylphenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 145237297
1-[(2E)-penta-2,4-dien-2-yl]-3-[(3Z)-penta-1,3-dien-2-yl]-5-phenylbenzene
CID 142955169
(2Z)-2-[[5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]phenyl]-(methylideneamino)methylidene]-1-(3-phenylphenyl)-N-[(4-prop-1-en-2-ylphenyl)methyl]but-3-en-1-imine
CID 144969198
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562
N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
CID 145212078
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-isoquinolin-7-yl-N-methylidene-5-[3,4,5-tris(ethenyl)-2-[(Z)-prop-1-enyl]phenyl]benzenecarboximidamide
CID 144775645

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine (CID 144650341) is (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine is C=C/C=C(\C)c1cccc(-c2cc(C/N=C(\C=C(/N=C)c3ccccc3)c3ccccc3)cc(-c3cccc4cc(C)c(/C=C\C)cc34)c2)c1.
What is the InChIKey of (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine?
The InChIKey is JFRLFIKNYZTQAN-BOJVRFPXSA-N. The full InChI is InChI=1S/C48H42N2/c1-6-16-34(3)40-22-14-23-41(29-40)43-27-36(28-44(30-43)45-25-15-24-42-26-35(4)39(17-7-2)31-46(42)45)33-50-48(38-20-12-9-13-21-38)32-47(49-5)37-18-10-8-11-19-37/h6-32H,1,5,33H2,2-4H3/b17-7-,34-16+,47-32-,50-48+.
What are the key properties of (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine?
(Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine has a molecular weight of 646.88 g/mol, XLogP of 12.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methylidene-N-[[3-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-[3-[(2E)-penta-2,4-dien-2-yl]phenyl]phenyl]methyl]-1,3-diphenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 144650341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).