(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide

C27H34IP — CID 173157973

IUPAC(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide
SMILESI.PCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33P.HI/c28-20-12-4-11-19-27(21-24-13-5-1-6-14-24,22-25-15-7-2-8-16-25)23-26-17-9-3-10-18-26;/h1-3,5-10,13-18H,4,11-12,19-23,28H2;1H
InChIKeyXSKBCCIIMRBBAH-UHFFFAOYSA-N
MW516.45 g/mol
LogP7.75
Rot. Bonds11

About (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide

(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide (PubChem CID 173157973) has the molecular formula C27H34IP and a molecular weight of 516.45 g/mol. Its IUPAC name is (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide.

Molecular Properties

Compound Name(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide
PubChem CID173157973
Molecular FormulaC27H34IP
Molecular Weight516.45 g/mol
Exact Mass516.14
IUPAC Name(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide
SMILESI.PCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33P.HI/c28-20-12-4-11-19-27(21-24-13-5-1-6-14-24,22-25-15-7-2-8-16-25)23-26-17-9-3-10-18-26;/h1-3,5-10,13-18H,4,11-12,19-23,28H2;1H
InChIKeyXSKBCCIIMRBBAH-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.45
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide?
The IUPAC name of (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide (CID 173157973) is (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide.
What is the SMILES notation for (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide?
The canonical SMILES for (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide is I.PCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide?
The InChIKey is XSKBCCIIMRBBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33P.HI/c28-20-12-4-11-19-27(21-24-13-5-1-6-14-24,22-25-15-7-2-8-16-25)23-26-17-9-3-10-18-26;/h1-3,5-10,13-18H,4,11-12,19-23,28H2;1H.
What are the key properties of (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide?
(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide has a molecular weight of 516.45 g/mol, XLogP of 7.75, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide is sourced from PubChem (CID 173157973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).