(4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel

C41H46Br2N2NiO2 — CID 87319807

IUPAC(4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel
SMILESBr[Ni]Br.Cc1ccccc1C1(c2ccccc2C)OC(CC2=N[C@H](C(C)C)C(c3ccccc3C)(c3ccccc3C)O2)=N[C@@H]1C(C)C
InChIInChI=1S/C41H46N2O2.2BrH.Ni/c1-26(2)38-40(32-21-13-9-17-28(32)5,33-22-14-10-18-29(33)6)44-36(42-38)25-37-43-39(27(3)4)41(45-37,34-23-15-11-19-30(34)7)35-24-16-12-20-31(35)8;;;/h9-24,26-27,38-39H,25H2,1-8H3;2*1H;/q;;;+2/p-2/t38-,39-;;;/m1.../s1
InChIKeyHZUUHFZGSKZLKK-PZIIRQDGSA-L
MW817.33 g/mol
LogP11.09
Rot. Bonds8

About (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel

(4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel (PubChem CID 87319807) has the molecular formula C41H46Br2N2NiO2 and a molecular weight of 817.33 g/mol. Its IUPAC name is (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel.

Molecular Properties

Compound Name(4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel
PubChem CID87319807
Molecular FormulaC41H46Br2N2NiO2
Molecular Weight817.33 g/mol
Exact Mass814.13
IUPAC Name(4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel
SMILESBr[Ni]Br.Cc1ccccc1C1(c2ccccc2C)OC(CC2=N[C@H](C(C)C)C(c3ccccc3C)(c3ccccc3C)O2)=N[C@@H]1C(C)C
InChIInChI=1S/C41H46N2O2.2BrH.Ni/c1-26(2)38-40(32-21-13-9-17-28(32)5,33-22-14-10-18-29(33)6)44-36(42-38)25-37-43-39(27(3)4)41(45-37,34-23-15-11-19-30(34)7)35-24-16-12-20-31(35)8;;;/h9-24,26-27,38-39H,25H2,1-8H3;2*1H;/q;;;+2/p-2/t38-,39-;;;/m1.../s1
InChIKeyHZUUHFZGSKZLKK-PZIIRQDGSA-L
XLogP11.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.33
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel?
The IUPAC name of (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel (CID 87319807) is (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel.
What is the SMILES notation for (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel?
The canonical SMILES for (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel is Br[Ni]Br.Cc1ccccc1C1(c2ccccc2C)OC(CC2=N[C@H](C(C)C)C(c3ccccc3C)(c3ccccc3C)O2)=N[C@@H]1C(C)C.
What is the InChIKey of (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel?
The InChIKey is HZUUHFZGSKZLKK-PZIIRQDGSA-L. The full InChI is InChI=1S/C41H46N2O2.2BrH.Ni/c1-26(2)38-40(32-21-13-9-17-28(32)5,33-22-14-10-18-29(33)6)44-36(42-38)25-37-43-39(27(3)4)41(45-37,34-23-15-11-19-30(34)7)35-24-16-12-20-31(35)8;;;/h9-24,26-27,38-39H,25H2,1-8H3;2*1H;/q;;;+2/p-2/t38-,39-;;;/m1.../s1.
What are the key properties of (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel?
(4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel has a molecular weight of 817.33 g/mol, XLogP of 11.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[[(4R)-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-bis(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazole;dibromonickel is sourced from PubChem (CID 87319807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).