3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium

C54H45O6PPdS2 — CID 146164037

IUPAC3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium
SMILESCc1ccc(S(=O)(=O)C2=C(c3ccccc3)OC(/[C-]=C\c3cc(S(=O)(=O)c4ccc(C)cc4)c(-c4ccccc4)o3)C2)cc1.[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H29O6S2.C18H15P.Pd/c1-25-13-19-31(20-14-25)43(37,38)33-23-29(41-35(33)27-9-5-3-6-10-27)17-18-30-24-34(36(42-30)28-11-7-4-8-12-28)44(39,40)32-21-15-26(2)16-22-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3-17,19-23,30H,24H2,1-2H3;1-15H;/q-1;;/p+1
InChIKeyAYPMIVRDWRCGRY-UHFFFAOYSA-O
MW991.48 g/mol
LogP11.02
Rot. Bonds11

About 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium

3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium (PubChem CID 146164037) has the molecular formula C54H45O6PPdS2 and a molecular weight of 991.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium
PubChem CID146164037
Molecular FormulaC54H45O6PPdS2
Molecular Weight991.48 g/mol
Exact Mass990.14
IUPAC Name3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium
SMILESCc1ccc(S(=O)(=O)C2=C(c3ccccc3)OC(/[C-]=C\c3cc(S(=O)(=O)c4ccc(C)cc4)c(-c4ccccc4)o3)C2)cc1.[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H29O6S2.C18H15P.Pd/c1-25-13-19-31(20-14-25)43(37,38)33-23-29(41-35(33)27-9-5-3-6-10-27)17-18-30-24-34(36(42-30)28-11-7-4-8-12-28)44(39,40)32-21-15-26(2)16-22-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3-17,19-23,30H,24H2,1-2H3;1-15H;/q-1;;/p+1
InChIKeyAYPMIVRDWRCGRY-UHFFFAOYSA-O
XLogP11.02
TPSA90.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.48
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium 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

3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-3H-furan-2-ylidene]ethenyl]-2-phenylfuran
CID 146164046
2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
CID 102599504
2-(4-methylphenyl)sulfonyl-1,4-diphenylbenzene
CID 102599502
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
5-ethenyl-3-methylsulfonyl-2-(4-phenylphenyl)furan
CID 132599463
4-(benzenesulfonyl)-5-phenyl-2-(phenylseleninylmethyl)-2,3-dihydrofuran
CID 10027733
2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
CID 132838054
4-(3-methylphenyl)sulfonyl-2-(methylsulfanylmethyl)-5-phenyl-2,3-dihydrofuran
CID 171059867
1,2-dimethyl-4-(4-methylphenyl)sulfonyl-5-phenylcyclohexa-1,4-diene
CID 14022580
3-(4-methylphenyl)sulfonyl-1,4-diphenylpyrrole
CID 14006843

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium (CID 146164037) is 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium is Cc1ccc(S(=O)(=O)C2=C(c3ccccc3)OC(/[C-]=C\c3cc(S(=O)(=O)c4ccc(C)cc4)c(-c4ccccc4)o3)C2)cc1.[Pd].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium?
The InChIKey is AYPMIVRDWRCGRY-UHFFFAOYSA-O. The full InChI is InChI=1S/C36H29O6S2.C18H15P.Pd/c1-25-13-19-31(20-14-25)43(37,38)33-23-29(41-35(33)27-9-5-3-6-10-27)17-18-30-24-34(36(42-30)28-11-7-4-8-12-28)44(39,40)32-21-15-26(2)16-22-32;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3-17,19-23,30H,24H2,1-2H3;1-15H;/q-1;;/p+1.
What are the key properties of 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium?
3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium has a molecular weight of 991.48 g/mol, XLogP of 11.02, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-5-[2-[4-(4-methylphenyl)sulfonyl-5-phenyl-2,3-dihydrofuran-2-yl]ethenyl]-2-phenylfuran;palladium;triphenylphosphanium is sourced from PubChem (CID 146164037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).