(3,3-dibenzyl-4-phenylbutyl)-iodophosphane

C24H26IP — CID 140527626

IUPAC(3,3-dibenzyl-4-phenylbutyl)-iodophosphane
SMILESIPCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26IP/c25-26-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,26H,16-20H2
InChIKeyZZBSQASQURYLOO-UHFFFAOYSA-N
MW472.35 g/mol
LogP7.12
Rot. Bonds9

About (3,3-dibenzyl-4-phenylbutyl)-iodophosphane

(3,3-dibenzyl-4-phenylbutyl)-iodophosphane (PubChem CID 140527626) has the molecular formula C24H26IP and a molecular weight of 472.35 g/mol. Its IUPAC name is (3,3-dibenzyl-4-phenylbutyl)-iodophosphane.

Molecular Properties

Compound Name(3,3-dibenzyl-4-phenylbutyl)-iodophosphane
PubChem CID140527626
Molecular FormulaC24H26IP
Molecular Weight472.35 g/mol
Exact Mass472.08
IUPAC Name(3,3-dibenzyl-4-phenylbutyl)-iodophosphane
SMILESIPCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26IP/c25-26-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,26H,16-20H2
InChIKeyZZBSQASQURYLOO-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.35
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3,3-dibenzyl-4-phenylbutyl)-iodophosphane 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

Triphenylethylene
CID 6025
Benzyltriphenylphosphonium chloride
CID 70671
Phosphine, tris(4-methylphenyl)-
CID 13956
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Triphenylmethane
CID 10614
1,4-Diphenylbutane
CID 66182
1,1,1-Triphenylethane
CID 78926
1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
Tetraphenylethylene
CID 69437
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
Phosphine, tris(phenylmethyl)-
CID 82101
Diphenyl(phenylmethyl)phosphine oxide
CID 76293

Frequently Asked Questions

What is the IUPAC name of (3,3-dibenzyl-4-phenylbutyl)-iodophosphane?
The IUPAC name of (3,3-dibenzyl-4-phenylbutyl)-iodophosphane (CID 140527626) is (3,3-dibenzyl-4-phenylbutyl)-iodophosphane.
What is the SMILES notation for (3,3-dibenzyl-4-phenylbutyl)-iodophosphane?
The canonical SMILES for (3,3-dibenzyl-4-phenylbutyl)-iodophosphane is IPCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3,3-dibenzyl-4-phenylbutyl)-iodophosphane?
The InChIKey is ZZBSQASQURYLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26IP/c25-26-17-16-24(18-21-10-4-1-5-11-21,19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,26H,16-20H2.
What are the key properties of (3,3-dibenzyl-4-phenylbutyl)-iodophosphane?
(3,3-dibenzyl-4-phenylbutyl)-iodophosphane has a molecular weight of 472.35 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dibenzyl-4-phenylbutyl)-iodophosphane is sourced from PubChem (CID 140527626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).