1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten

C49H48O6W4-4 — CID 158286848

IUPAC1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
SMILESCc1cc(OCc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(OCc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W]
InChIInChI=1S/C45H36O6.4CH3.4W/c1-33-22-40(46-31-34-24-42(48-36-14-6-2-7-15-36)29-43(25-34)49-37-16-8-3-9-17-37)28-41(23-33)47-32-35-26-44(50-38-18-10-4-11-19-38)30-45(27-35)51-39-20-12-5-13-21-39;;;;;;;;/h2-30H,31-32H2,1H3;4*1H3;;;;/q;4*-1;;;;
InChIKeyKDILYLQOBKYCCX-UHFFFAOYSA-N
MW1468.28 g/mol
LogP14.11
Rot. Bonds14

About 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten

1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten (PubChem CID 158286848) has the molecular formula C49H48O6W4-4 and a molecular weight of 1468.28 g/mol. Its IUPAC name is 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten.

Molecular Properties

Compound Name1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
PubChem CID158286848
Molecular FormulaC49H48O6W4-4
Molecular Weight1468.28 g/mol
Exact Mass1468.15
IUPAC Name1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
SMILESCc1cc(OCc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(OCc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W]
InChIInChI=1S/C45H36O6.4CH3.4W/c1-33-22-40(46-31-34-24-42(48-36-14-6-2-7-15-36)29-43(25-34)49-37-16-8-3-9-17-37)28-41(23-33)47-32-35-26-44(50-38-18-10-4-11-19-38)30-45(27-35)51-39-20-12-5-13-21-39;;;;;;;;/h2-30H,31-32H2,1H3;4*1H3;;;;/q;4*-1;;;;
InChIKeyKDILYLQOBKYCCX-UHFFFAOYSA-N
XLogP14.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.28
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
CID 59710807
3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
CID 175589747
N-[2-(3,5-dimethylphenoxy)ethyl]-4-phenoxyaniline
CID 54796472
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten?
The IUPAC name of 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten (CID 158286848) is 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten.
What is the SMILES notation for 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten?
The canonical SMILES for 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten is Cc1cc(OCc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(OCc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1.[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].
What is the InChIKey of 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten?
The InChIKey is KDILYLQOBKYCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36O6.4CH3.4W/c1-33-22-40(46-31-34-24-42(48-36-14-6-2-7-15-36)29-43(25-34)49-37-16-8-3-9-17-37)28-41(23-33)47-32-35-26-44(50-38-18-10-4-11-19-38)30-45(27-35)51-39-20-12-5-13-21-39;;;;;;;;/h2-30H,31-32H2,1H3;4*1H3;;;;/q;4*-1;;;;.
What are the key properties of 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten?
1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten has a molecular weight of 1468.28 g/mol, XLogP of 14.11, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten is sourced from PubChem (CID 158286848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).