3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine

C29H21F3N2O3 — CID 18874685

IUPAC3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine
SMILESCOc1ccc(-c2cc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C29H21F3N2O3/c1-35-22-10-6-18(7-11-22)25-17-24(28(34-33-25)19-8-12-23(36-2)13-9-19)27-15-14-26(37-27)20-4-3-5-21(16-20)29(30,31)32/h3-17H,1-2H3
InChIKeyLOVIBQKOEMNMLZ-UHFFFAOYSA-N
MW502.49 g/mol
LogP7.77
Rot. Bonds6

About 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine

3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine (PubChem CID 18874685) has the molecular formula C29H21F3N2O3 and a molecular weight of 502.49 g/mol. Its IUPAC name is 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine.

Molecular Properties

Compound Name3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine
PubChem CID18874685
Molecular FormulaC29H21F3N2O3
Molecular Weight502.49 g/mol
Exact Mass502.15
IUPAC Name3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine
SMILESCOc1ccc(-c2cc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(-c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C29H21F3N2O3/c1-35-22-10-6-18(7-11-22)25-17-24(28(34-33-25)19-8-12-23(36-2)13-9-19)27-15-14-26(37-27)20-4-3-5-21(16-20)29(30,31)32/h3-17H,1-2H3
InChIKeyLOVIBQKOEMNMLZ-UHFFFAOYSA-N
XLogP7.77
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.49
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928
3,6-bis(4-chlorophenyl)-4-[5-(3-chlorophenyl)furan-2-yl]pyridazine
CID 18874749
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
2-[4-[(4-methoxyphenoxy)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550338
2-(4-methoxyphenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 27914512
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997
4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959667
6-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]-4H-1,2,4-triazin-5-one
CID 136778620
2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089532

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine?
The IUPAC name of 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine (CID 18874685) is 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine.
What is the SMILES notation for 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine?
The canonical SMILES for 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine is COc1ccc(-c2cc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(-c3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine?
The InChIKey is LOVIBQKOEMNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N2O3/c1-35-22-10-6-18(7-11-22)25-17-24(28(34-33-25)19-8-12-23(36-2)13-9-19)27-15-14-26(37-27)20-4-3-5-21(16-20)29(30,31)32/h3-17H,1-2H3.
What are the key properties of 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine?
3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine has a molecular weight of 502.49 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methoxyphenyl)-4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]pyridazine is sourced from PubChem (CID 18874685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).