3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole

C41H38N4O3 — CID 139625776

IUPAC3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESCOc1ccc(C=C(C2=CC(c3ccc(OC)cc3)N(c3ccccc3)N2)C2=CC(c3ccc(OC)cc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C41H38N4O3/c1-46-34-20-14-29(15-21-34)26-37(38-27-40(30-16-22-35(47-2)23-17-30)44(42-38)32-10-6-4-7-11-32)39-28-41(31-18-24-36(48-3)25-19-31)45(43-39)33-12-8-5-9-13-33/h4-28,40-43H,1-3H3
InChIKeyHQMDJDOMHCXSRF-UHFFFAOYSA-N
MW634.78 g/mol
LogP8.40
Rot. Bonds10

About 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole

3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole (PubChem CID 139625776) has the molecular formula C41H38N4O3 and a molecular weight of 634.78 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole
PubChem CID139625776
Molecular FormulaC41H38N4O3
Molecular Weight634.78 g/mol
Exact Mass634.29
IUPAC Name3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESCOc1ccc(C=C(C2=CC(c3ccc(OC)cc3)N(c3ccccc3)N2)C2=CC(c3ccc(OC)cc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C41H38N4O3/c1-46-34-20-14-29(15-21-34)26-37(38-27-40(30-16-22-35(47-2)23-17-30)44(42-38)32-10-6-4-7-11-32)39-28-41(31-18-24-36(48-3)25-19-31)45(43-39)33-12-8-5-9-13-33/h4-28,40-43H,1-3H3
InChIKeyHQMDJDOMHCXSRF-UHFFFAOYSA-N
XLogP8.40
TPSA58.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole with MolForge

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Related Compounds

4-[3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]benzoic acid
CID 50888067
(3R)-2-(2-chlorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-1,3-dihydropyrazole
CID 6999409
3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
CID 68648729
(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
CID 10961096
dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
CID 132557467
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene
CID 72576126
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole
CID 71394330
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole
CID 102573293
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole (CID 139625776) is 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole is COc1ccc(C=C(C2=CC(c3ccc(OC)cc3)N(c3ccccc3)N2)C2=CC(c3ccc(OC)cc3)N(c3ccccc3)N2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole?
The InChIKey is HQMDJDOMHCXSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O3/c1-46-34-20-14-29(15-21-34)26-37(38-27-40(30-16-22-35(47-2)23-17-30)44(42-38)32-10-6-4-7-11-32)39-28-41(31-18-24-36(48-3)25-19-31)45(43-39)33-12-8-5-9-13-33/h4-28,40-43H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole?
3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole has a molecular weight of 634.78 g/mol, XLogP of 8.40, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole is sourced from PubChem (CID 139625776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).