tetrakis(4-ethoxyphenyl)boranuide

C32H36BO4- — CID 11071374

IUPACtetrakis(4-ethoxyphenyl)boranuide
SMILESCCOc1ccc([B-](c2ccc(OCC)cc2)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C32H36BO4/c1-5-34-29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)35-6-2,27-13-21-31(22-14-27)36-7-3)28-15-23-32(24-16-28)37-8-4/h9-24H,5-8H2,1-4H3/q-1
InChIKeyLZJQNAQMIKAIQR-UHFFFAOYSA-N
MW495.45 g/mol
LogP4.66
Rot. Bonds12

About tetrakis(4-ethoxyphenyl)boranuide

tetrakis(4-ethoxyphenyl)boranuide (PubChem CID 11071374) has the molecular formula C32H36BO4- and a molecular weight of 495.45 g/mol. Its IUPAC name is tetrakis(4-ethoxyphenyl)boranuide.

Molecular Properties

Compound Nametetrakis(4-ethoxyphenyl)boranuide
PubChem CID11071374
Molecular FormulaC32H36BO4-
Molecular Weight495.45 g/mol
Exact Mass495.27
IUPAC Nametetrakis(4-ethoxyphenyl)boranuide
SMILESCCOc1ccc([B-](c2ccc(OCC)cc2)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C32H36BO4/c1-5-34-29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)35-6-2,27-13-21-31(22-14-27)36-7-3)28-15-23-32(24-16-28)37-8-4/h9-24H,5-8H2,1-4H3/q-1
InChIKeyLZJQNAQMIKAIQR-UHFFFAOYSA-N
XLogP4.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
ethoxybenzene chloride
CID 21193593
(4-ethoxyphenyl)-oxosulfanium
CID 174263309
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-ethoxy-4-ethoxybenzene
CID 91392612
ethoxybenzene tetrafluoroborate
CID 174807216
4-ethoxy-N,N-dimethylaniline
CID 3624890
CID 174603663
CID 174603663
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-ethoxyphenyl)boranuide?
The IUPAC name of tetrakis(4-ethoxyphenyl)boranuide (CID 11071374) is tetrakis(4-ethoxyphenyl)boranuide.
What is the SMILES notation for tetrakis(4-ethoxyphenyl)boranuide?
The canonical SMILES for tetrakis(4-ethoxyphenyl)boranuide is CCOc1ccc([B-](c2ccc(OCC)cc2)(c2ccc(OCC)cc2)c2ccc(OCC)cc2)cc1.
What is the InChIKey of tetrakis(4-ethoxyphenyl)boranuide?
The InChIKey is LZJQNAQMIKAIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36BO4/c1-5-34-29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)35-6-2,27-13-21-31(22-14-27)36-7-3)28-15-23-32(24-16-28)37-8-4/h9-24H,5-8H2,1-4H3/q-1.
What are the key properties of tetrakis(4-ethoxyphenyl)boranuide?
tetrakis(4-ethoxyphenyl)boranuide has a molecular weight of 495.45 g/mol, XLogP of 4.66, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-ethoxyphenyl)boranuide is sourced from PubChem (CID 11071374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).