(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'}

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Related Compounds

(18,18-dibenzyl-19-phenylnonadecyl)-iodophosphane
CID 140527861
(3,3-dibenzyl-4-phenylbutyl)phosphane
CID 69305296
(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide
CID 173157973
(2,2-dibenzyl-3-phenylpropyl)phosphane;hydrochloride
CID 173073292
[4-chloro-2-(2-chloroethyl)-2-(chloromethyl)butyl]benzene
CID 141150481
dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane
CID 156786949
2,2-bis(chloromethyl)pentylbenzene
CID 79447192
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
2,2-diethylundecylbenzene
CID 151975771
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-4-bromobenzene
CID 79453447
2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
CID 79450709

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).