dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane

C29H25GaO2 — CID 16689049

IUPACdimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
SMILESC[Ga](C)Oc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H20O2.2CH3.Ga/c28-24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19;;;/h1-17,28H,18H2;2*1H3;/q;;;+1/p-1
InChIKeyZIKVIHZGEIIRRQ-UHFFFAOYSA-M
MW475.24 g/mol
LogP7.87
Rot. Bonds6

About dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane

dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane (PubChem CID 16689049) has the molecular formula C29H25GaO2 and a molecular weight of 475.24 g/mol. Its IUPAC name is dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane.

Molecular Properties

Compound Namedimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
PubChem CID16689049
Molecular FormulaC29H25GaO2
Molecular Weight475.24 g/mol
Exact Mass474.11
IUPAC Namedimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
SMILESC[Ga](C)Oc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H20O2.2CH3.Ga/c28-24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19;;;/h1-17,28H,18H2;2*1H3;/q;;;+1/p-1
InChIKeyZIKVIHZGEIIRRQ-UHFFFAOYSA-M
XLogP7.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.24
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
CID 101190162
2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
1-(2-dinaphthalen-2-ylphosphorylphenyl)-2-phenylmethoxynaphthalene
CID 170694617
1-(2-phenylmethoxynaphthalen-1-yl)propan-1-ol
CID 163598537
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
dicyclohexyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 23421218
2-(2-phenylmethoxynaphthalen-1-yl)-1,3-benzothiazole
CID 126198654
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
CID 53486788

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane?
The IUPAC name of dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane (CID 16689049) is dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane.
What is the SMILES notation for dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane?
The canonical SMILES for dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane is C[Ga](C)Oc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane?
The InChIKey is ZIKVIHZGEIIRRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H20O2.2CH3.Ga/c28-24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19;;;/h1-17,28H,18H2;2*1H3;/q;;;+1/p-1.
What are the key properties of dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane?
dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane has a molecular weight of 475.24 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane is sourced from PubChem (CID 16689049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).