butyl-tris(1-phenylethenyl)boranuide

C28H30B- — CID 173338023

IUPACbutyl-tris(1-phenylethenyl)boranuide
SMILESC=C(c1ccccc1)[B-](CCCC)(C(=C)c1ccccc1)C(=C)c1ccccc1
InChIInChI=1S/C28H30B/c1-5-6-22-29(23(2)26-16-10-7-11-17-26,24(3)27-18-12-8-13-19-27)25(4)28-20-14-9-15-21-28/h7-21H,2-6,22H2,1H3/q-1
InChIKeyOBCNHPYDCQDHON-UHFFFAOYSA-N
MW377.36 g/mol
LogP7.99
Rot. Bonds9

About butyl-tris(1-phenylethenyl)boranuide

butyl-tris(1-phenylethenyl)boranuide (PubChem CID 173338023) has the molecular formula C28H30B- and a molecular weight of 377.36 g/mol. Its IUPAC name is butyl-tris(1-phenylethenyl)boranuide.

Molecular Properties

Compound Namebutyl-tris(1-phenylethenyl)boranuide
PubChem CID173338023
Molecular FormulaC28H30B-
Molecular Weight377.36 g/mol
Exact Mass377.24
IUPAC Namebutyl-tris(1-phenylethenyl)boranuide
SMILESC=C(c1ccccc1)[B-](CCCC)(C(=C)c1ccccc1)C(=C)c1ccccc1
InChIInChI=1S/C28H30B/c1-5-6-22-29(23(2)26-16-10-7-11-17-26,24(3)27-18-12-8-13-19-27)25(4)28-20-14-9-15-21-28/h7-21H,2-6,22H2,1H3/q-1
InChIKeyOBCNHPYDCQDHON-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butyl-tris(1-phenylethenyl)boranuide 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

1-butyltellanylethenylbenzene
CID 11822305
tributyl(1-phenylethenyl)phosphanium
CID 71320893
pent-1-en-2-ylbenzene
CID 521761
oct-1-en-3-yn-2-ylbenzene
CID 86242377
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
1-diphenylphosphanylethenyl(diphenyl)phosphane;hexane
CID 131733424
dodecane-1-thiol;prop-1-en-2-ylbenzene
CID 157159837
tributyl(2-phenylprop-2-enyl)azanium
CID 20792578
lithium butyl(triphenyl)boranuide
CID 23668465
hexane;1-phenylethanone
CID 160797049

Frequently Asked Questions

What is the IUPAC name of butyl-tris(1-phenylethenyl)boranuide?
The IUPAC name of butyl-tris(1-phenylethenyl)boranuide (CID 173338023) is butyl-tris(1-phenylethenyl)boranuide.
What is the SMILES notation for butyl-tris(1-phenylethenyl)boranuide?
The canonical SMILES for butyl-tris(1-phenylethenyl)boranuide is C=C(c1ccccc1)[B-](CCCC)(C(=C)c1ccccc1)C(=C)c1ccccc1.
What is the InChIKey of butyl-tris(1-phenylethenyl)boranuide?
The InChIKey is OBCNHPYDCQDHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30B/c1-5-6-22-29(23(2)26-16-10-7-11-17-26,24(3)27-18-12-8-13-19-27)25(4)28-20-14-9-15-21-28/h7-21H,2-6,22H2,1H3/q-1.
What are the key properties of butyl-tris(1-phenylethenyl)boranuide?
butyl-tris(1-phenylethenyl)boranuide has a molecular weight of 377.36 g/mol, XLogP of 7.99, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-tris(1-phenylethenyl)boranuide is sourced from PubChem (CID 173338023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).