(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide

C47H42Br2N2O6Pd — CID 173021286

IUPAC(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
SMILESCOc1cccc(-c2cccc([C@H]3N=C(CC4=N[C@H](c5cccc(-c6cccc(OC)c6)c5)C(c5cccc(OC)c5)O4)OC3c3cccc(OC)c3)c2)c1.[Br-].[Br-].[Pd+2]
InChIInChI=1S/C47H42N2O6.2BrH.Pd/c1-50-38-19-7-13-32(25-38)30-11-5-15-34(23-30)44-46(36-17-9-21-40(27-36)52-3)54-42(48-44)29-43-49-45(47(55-43)37-18-10-22-41(28-37)53-4)35-16-6-12-31(24-35)33-14-8-20-39(26-33)51-2;;;/h5-28,44-47H,29H2,1-4H3;2*1H;/q;;;+2/p-2/t44-,45-,46?,47?;;;/m1.../s1
InChIKeyOHBTTWSIWNCMKJ-WHWURUDASA-L
MW997.09 g/mol
LogP4.57
Rot. Bonds12

About (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide

(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide (PubChem CID 173021286) has the molecular formula C47H42Br2N2O6Pd and a molecular weight of 997.09 g/mol. Its IUPAC name is (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide.

Molecular Properties

Compound Name(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
PubChem CID173021286
Molecular FormulaC47H42Br2N2O6Pd
Molecular Weight997.09 g/mol
Exact Mass994.04
IUPAC Name(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
SMILESCOc1cccc(-c2cccc([C@H]3N=C(CC4=N[C@H](c5cccc(-c6cccc(OC)c6)c5)C(c5cccc(OC)c5)O4)OC3c3cccc(OC)c3)c2)c1.[Br-].[Br-].[Pd+2]
InChIInChI=1S/C47H42N2O6.2BrH.Pd/c1-50-38-19-7-13-32(25-38)30-11-5-15-34(23-30)44-46(36-17-9-21-40(27-36)52-3)54-42(48-44)29-43-49-45(47(55-43)37-18-10-22-41(28-37)53-4)35-16-6-12-31(24-35)33-14-8-20-39(26-33)51-2;;;/h5-28,44-47H,29H2,1-4H3;2*1H;/q;;;+2/p-2/t44-,45-,46?,47?;;;/m1.../s1
InChIKeyOHBTTWSIWNCMKJ-WHWURUDASA-L
XLogP4.57
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500997.09
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide with MolForge

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Related Compounds

(4R)-5-(2-methoxyphenyl)-2-[[(4R)-5-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(2-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide
CID 173021263
(4R,5R)-2-(3-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 102576070
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 69281903
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
[5-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115061541
(4R,5R)-5-(3-methoxyphenyl)-4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-oxazolidin-2-one
CID 69281800
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
(4R,5R)-4-[3-(6-fluoro-3-pyridinyl)phenyl]-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69281889
(4R,5R)-4,5-diphenyl-2-(3-prop-2-enoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 102431667

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
The IUPAC name of (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide (CID 173021286) is (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide.
What is the SMILES notation for (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
The canonical SMILES for (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide is COc1cccc(-c2cccc([C@H]3N=C(CC4=N[C@H](c5cccc(-c6cccc(OC)c6)c5)C(c5cccc(OC)c5)O4)OC3c3cccc(OC)c3)c2)c1.[Br-].[Br-].[Pd+2].
What is the InChIKey of (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
The InChIKey is OHBTTWSIWNCMKJ-WHWURUDASA-L. The full InChI is InChI=1S/C47H42N2O6.2BrH.Pd/c1-50-38-19-7-13-32(25-38)30-11-5-15-34(23-30)44-46(36-17-9-21-40(27-36)52-3)54-42(48-44)29-43-49-45(47(55-43)37-18-10-22-41(28-37)53-4)35-16-6-12-31(24-35)33-14-8-20-39(26-33)51-2;;;/h5-28,44-47H,29H2,1-4H3;2*1H;/q;;;+2/p-2/t44-,45-,46?,47?;;;/m1.../s1.
What are the key properties of (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide?
(4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide has a molecular weight of 997.09 g/mol, XLogP of 4.57, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3-methoxyphenyl)-2-[[(4R)-5-(3-methoxyphenyl)-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-[3-(3-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole;palladium(2+);dibromide is sourced from PubChem (CID 173021286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).