tetrakis(4-propan-2-yloxyphenyl)boranuide

C36H44BO4- — CID 10056831

IUPACtetrakis(4-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccc([B-](c2ccc(OC(C)C)cc2)(c2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C36H44BO4/c1-25(2)38-33-17-9-29(10-18-33)37(30-11-19-34(20-12-30)39-26(3)4,31-13-21-35(22-14-31)40-27(5)6)32-15-23-36(24-16-32)41-28(7)8/h9-28H,1-8H3/q-1
InChIKeyWQBISZSKQNCSPK-UHFFFAOYSA-N
MW551.56 g/mol
LogP6.21
Rot. Bonds12

About tetrakis(4-propan-2-yloxyphenyl)boranuide

tetrakis(4-propan-2-yloxyphenyl)boranuide (PubChem CID 10056831) has the molecular formula C36H44BO4- and a molecular weight of 551.56 g/mol. Its IUPAC name is tetrakis(4-propan-2-yloxyphenyl)boranuide.

Molecular Properties

Compound Nametetrakis(4-propan-2-yloxyphenyl)boranuide
PubChem CID10056831
Molecular FormulaC36H44BO4-
Molecular Weight551.56 g/mol
Exact Mass551.33
IUPAC Nametetrakis(4-propan-2-yloxyphenyl)boranuide
SMILESCC(C)Oc1ccc([B-](c2ccc(OC(C)C)cc2)(c2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C36H44BO4/c1-25(2)38-33-17-9-29(10-18-33)37(30-11-19-34(20-12-30)39-26(3)4,31-13-21-35(22-14-31)40-27(5)6)32-15-23-36(24-16-32)41-28(7)8/h9-28H,1-8H3/q-1
InChIKeyWQBISZSKQNCSPK-UHFFFAOYSA-N
XLogP6.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.56
LogP ≤ 56.21
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

1,4-Diphenoxybutane
CID 137944
(3-Phenoxypropyl)(triphenyl)phosphanium bromide
CID 3048782
(2-Phenoxyethyl)triphenylphosphonium bromide
CID 2778279
1-(Pentyloxy)-4-phenoxybenzene
CID 21883856
1-Butoxy-4-phenoxybenzene
CID 44562812
Stannane, bis(p-phenoxyphenyl)diphenyl-
CID 99353
1,6-Diphenoxyhexane
CID 139096
Tris(2-methoxyphenyl)bismuthine
CID 2734045
1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene
CID 11051218
1,1'-[1,11-Undecanediylbis(oxy)]bisbenzene
CID 71343858
1-Phenoxy-4-(3-propoxybutoxy)benzene
CID 14353135
Tetrakis(4-phenoxyphenyl)stannane
CID 201639

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-propan-2-yloxyphenyl)boranuide?
The IUPAC name of tetrakis(4-propan-2-yloxyphenyl)boranuide (CID 10056831) is tetrakis(4-propan-2-yloxyphenyl)boranuide.
What is the SMILES notation for tetrakis(4-propan-2-yloxyphenyl)boranuide?
The canonical SMILES for tetrakis(4-propan-2-yloxyphenyl)boranuide is CC(C)Oc1ccc([B-](c2ccc(OC(C)C)cc2)(c2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of tetrakis(4-propan-2-yloxyphenyl)boranuide?
The InChIKey is WQBISZSKQNCSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44BO4/c1-25(2)38-33-17-9-29(10-18-33)37(30-11-19-34(20-12-30)39-26(3)4,31-13-21-35(22-14-31)40-27(5)6)32-15-23-36(24-16-32)41-28(7)8/h9-28H,1-8H3/q-1.
What are the key properties of tetrakis(4-propan-2-yloxyphenyl)boranuide?
tetrakis(4-propan-2-yloxyphenyl)boranuide has a molecular weight of 551.56 g/mol, XLogP of 6.21, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-propan-2-yloxyphenyl)boranuide is sourced from PubChem (CID 10056831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).