bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))

C49H38MnO7-4 — CID 158376040

IUPACbis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))
SMILESCOc1cc(-c2c(C(=O)c3ccc4ccccc4c3-c3ccc(OCc4ccccc4)c(OC)c3)ccc3ccccc23)ccc1OCc1ccccc1.[Mn].[O-2].[O-2]
InChIInChI=1S/C49H38O5.Mn.2O/c1-51-45-29-37(23-27-43(45)53-31-33-13-5-3-6-14-33)47-39-19-11-9-17-35(39)21-25-41(47)49(50)42-26-22-36-18-10-12-20-40(36)48(42)38-24-28-44(46(30-38)52-2)54-32-34-15-7-4-8-16-34;;;/h3-30H,31-32H2,1-2H3;;;/q;;2*-2
InChIKeyLZGYMCJCSDVALD-UHFFFAOYSA-N
MW793.77 g/mol
LogP11.49
Rot. Bonds12

About bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))

bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-)) (PubChem CID 158376040) has the molecular formula C49H38MnO7-4 and a molecular weight of 793.77 g/mol. Its IUPAC name is bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-)).

Molecular Properties

Compound Namebis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))
PubChem CID158376040
Molecular FormulaC49H38MnO7-4
Molecular Weight793.77 g/mol
Exact Mass793.20
IUPAC Namebis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))
SMILESCOc1cc(-c2c(C(=O)c3ccc4ccccc4c3-c3ccc(OCc4ccccc4)c(OC)c3)ccc3ccccc23)ccc1OCc1ccccc1.[Mn].[O-2].[O-2]
InChIInChI=1S/C49H38O5.Mn.2O/c1-51-45-29-37(23-27-43(45)53-31-33-13-5-3-6-14-33)47-39-19-11-9-17-35(39)21-25-41(47)49(50)42-26-22-36-18-10-12-20-40(36)48(42)38-24-28-44(46(30-38)52-2)54-32-34-15-7-4-8-16-34;;;/h3-30H,31-32H2,1-2H3;;;/q;;2*-2
InChIKeyLZGYMCJCSDVALD-UHFFFAOYSA-N
XLogP11.49
TPSA110.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.77
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
CID 3111565
N-butan-2-yl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 42704361
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
CID 7139641

Frequently Asked Questions

What is the IUPAC name of bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))?
The IUPAC name of bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-)) (CID 158376040) is bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-)).
What is the SMILES notation for bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))?
The canonical SMILES for bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-)) is COc1cc(-c2c(C(=O)c3ccc4ccccc4c3-c3ccc(OCc4ccccc4)c(OC)c3)ccc3ccccc23)ccc1OCc1ccccc1.[Mn].[O-2].[O-2].
What is the InChIKey of bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))?
The InChIKey is LZGYMCJCSDVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38O5.Mn.2O/c1-51-45-29-37(23-27-43(45)53-31-33-13-5-3-6-14-33)47-39-19-11-9-17-35(39)21-25-41(47)49(50)42-26-22-36-18-10-12-20-40(36)48(42)38-24-28-44(46(30-38)52-2)54-32-34-15-7-4-8-16-34;;;/h3-30H,31-32H2,1-2H3;;;/q;;2*-2.
What are the key properties of bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))?
bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-)) has a molecular weight of 793.77 g/mol, XLogP of 11.49, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-)) is sourced from PubChem (CID 158376040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).