barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)

C42H30BaO4 — CID 10952722

IUPACbarium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
SMILESCOc1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.COc1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[Ba+2]
InChIInChI=1S/2C21H16O2.Ba/c2*1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22;/h2*2-13,22H,1H3;/q;;+2/p-2
InChIKeyDUKFBZPTSIXUFK-UHFFFAOYSA-L
MW736.03 g/mol
LogP9.10
Rot. Bonds4

About barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)

barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate) (PubChem CID 10952722) has the molecular formula C42H30BaO4 and a molecular weight of 736.03 g/mol. Its IUPAC name is barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate).

Molecular Properties

Compound Namebarium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
PubChem CID10952722
Molecular FormulaC42H30BaO4
Molecular Weight736.03 g/mol
Exact Mass736.12
IUPAC Namebarium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
SMILESCOc1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.COc1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[Ba+2]
InChIInChI=1S/2C21H16O2.Ba/c2*1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22;/h2*2-13,22H,1H3;/q;;+2/p-2
InChIKeyDUKFBZPTSIXUFK-UHFFFAOYSA-L
XLogP9.10
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.03
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
aluminum;lithium;bis(1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate)
CID 11556215
molecular hydrogen;1-(2-oxidonaphthalen-1-yl)naphthalen-2-olate;uranium
CID 102206334
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
[3-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-trimethylsilane
CID 175847366
1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole
CID 18736755
sodium 1-methoxynaphthalen-2-olate
CID 139799062
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
CID 53486788
1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
CID 165084325

Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)?
The IUPAC name of barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate) (CID 10952722) is barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate).
What is the SMILES notation for barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)?
The canonical SMILES for barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate) is COc1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.COc1ccc2ccccc2c1-c1c([O-])ccc2ccccc12.[Ba+2].
What is the InChIKey of barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)?
The InChIKey is DUKFBZPTSIXUFK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H16O2.Ba/c2*1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22;/h2*2-13,22H,1H3;/q;;+2/p-2.
What are the key properties of barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)?
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate) has a molecular weight of 736.03 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate) is sourced from PubChem (CID 10952722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).