boric acid;2-hexoxy-N,N-diphenylaniline

C24H30BNO4 — CID 174868149

IUPACboric acid;2-hexoxy-N,N-diphenylaniline
SMILESCCCCCCOc1ccccc1N(c1ccccc1)c1ccccc1.OB(O)O
InChIInChI=1S/C24H27NO.BH3O3/c1-2-3-4-13-20-26-24-19-12-11-18-23(24)25(21-14-7-5-8-15-21)22-16-9-6-10-17-22;2-1(3)4/h5-12,14-19H,2-4,13,20H2,1H3;2-4H
InChIKeyUIGFIHHTDRPLMH-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.06
Rot. Bonds9

About boric acid;2-hexoxy-N,N-diphenylaniline

boric acid;2-hexoxy-N,N-diphenylaniline (PubChem CID 174868149) has the molecular formula C24H30BNO4 and a molecular weight of 407.32 g/mol. Its IUPAC name is boric acid;2-hexoxy-N,N-diphenylaniline.

Molecular Properties

Compound Nameboric acid;2-hexoxy-N,N-diphenylaniline
PubChem CID174868149
Molecular FormulaC24H30BNO4
Molecular Weight407.32 g/mol
Exact Mass407.23
IUPAC Nameboric acid;2-hexoxy-N,N-diphenylaniline
SMILESCCCCCCOc1ccccc1N(c1ccccc1)c1ccccc1.OB(O)O
InChIInChI=1S/C24H27NO.BH3O3/c1-2-3-4-13-20-26-24-19-12-11-18-23(24)25(21-14-7-5-8-15-21)22-16-9-6-10-17-22;2-1(3)4/h5-12,14-19H,2-4,13,20H2,1H3;2-4H
InChIKeyUIGFIHHTDRPLMH-UHFFFAOYSA-N
XLogP5.06
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze boric acid;2-hexoxy-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butoxy-N,N-diphenylaniline
CID 154486534
3-hexoxy-N,N,2-triphenylaniline
CID 174676393
2-tridecoxyphenol
CID 67178320
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
1-heptoxy-2-iodobenzene
CID 63530624
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
1-phenyl-1-tetradecoxyhydrazine
CID 151258188
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
1-methyl-2-pentadecoxybenzene
CID 154641785
2,6-diheptoxyphenol
CID 57426104
2,6-di(nonoxy)phenol
CID 22024876
2-octoxyaniline
CID 14747235

Frequently Asked Questions

What is the IUPAC name of boric acid;2-hexoxy-N,N-diphenylaniline?
The IUPAC name of boric acid;2-hexoxy-N,N-diphenylaniline (CID 174868149) is boric acid;2-hexoxy-N,N-diphenylaniline.
What is the SMILES notation for boric acid;2-hexoxy-N,N-diphenylaniline?
The canonical SMILES for boric acid;2-hexoxy-N,N-diphenylaniline is CCCCCCOc1ccccc1N(c1ccccc1)c1ccccc1.OB(O)O.
What is the InChIKey of boric acid;2-hexoxy-N,N-diphenylaniline?
The InChIKey is UIGFIHHTDRPLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO.BH3O3/c1-2-3-4-13-20-26-24-19-12-11-18-23(24)25(21-14-7-5-8-15-21)22-16-9-6-10-17-22;2-1(3)4/h5-12,14-19H,2-4,13,20H2,1H3;2-4H.
What are the key properties of boric acid;2-hexoxy-N,N-diphenylaniline?
boric acid;2-hexoxy-N,N-diphenylaniline has a molecular weight of 407.32 g/mol, XLogP of 5.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-hexoxy-N,N-diphenylaniline is sourced from PubChem (CID 174868149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).