dibenzyl(1-dibenzylphosphanylhexyl)phosphane

C34H40P2 — CID 90108098

IUPACdibenzyl(1-dibenzylphosphanylhexyl)phosphane
SMILESCCCCCC(P(Cc1ccccc1)Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H40P2/c1-2-3-8-25-34(35(26-30-17-9-4-10-18-30)27-31-19-11-5-12-20-31)36(28-32-21-13-6-14-22-32)29-33-23-15-7-16-24-33/h4-7,9-24,34H,2-3,8,25-29H2,1H3
InChIKeyPWIVZUSBAUKUHQ-UHFFFAOYSA-N
MW510.64 g/mol
LogP10.66
Rot. Bonds14

About dibenzyl(1-dibenzylphosphanylhexyl)phosphane

dibenzyl(1-dibenzylphosphanylhexyl)phosphane (PubChem CID 90108098) has the molecular formula C34H40P2 and a molecular weight of 510.64 g/mol. Its IUPAC name is dibenzyl(1-dibenzylphosphanylhexyl)phosphane.

Molecular Properties

Compound Namedibenzyl(1-dibenzylphosphanylhexyl)phosphane
PubChem CID90108098
Molecular FormulaC34H40P2
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC Namedibenzyl(1-dibenzylphosphanylhexyl)phosphane
SMILESCCCCCC(P(Cc1ccccc1)Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H40P2/c1-2-3-8-25-34(35(26-30-17-9-4-10-18-30)27-31-19-11-5-12-20-31)36(28-32-21-13-6-14-22-32)29-33-23-15-7-16-24-33/h4-7,9-24,34H,2-3,8,25-29H2,1H3
InChIKeyPWIVZUSBAUKUHQ-UHFFFAOYSA-N
XLogP10.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-benzyltetradecylbenzene
CID 22920205
dibenzyl(1-dibenzylphosphanylethyl)phosphane
CID 21296881
ethane;2-methylheptylbenzene
CID 142204161
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
benzyl-heptatriacontan-19-yl-methylazanium chloride
CID 139462736
diphenyl(1-phenylheptan-2-yl)phosphane
CID 139486900
2-ethenyltetradecylbenzene
CID 173452613
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-bromotridecylbenzene
CID 65427778
hexakis(decane);ethylbenzene
CID 173398562
hexyl(triphenyl)phosphanium
CID 2724570
N-benzyltridecan-6-amine
CID 166644944

Frequently Asked Questions

What is the IUPAC name of dibenzyl(1-dibenzylphosphanylhexyl)phosphane?
The IUPAC name of dibenzyl(1-dibenzylphosphanylhexyl)phosphane (CID 90108098) is dibenzyl(1-dibenzylphosphanylhexyl)phosphane.
What is the SMILES notation for dibenzyl(1-dibenzylphosphanylhexyl)phosphane?
The canonical SMILES for dibenzyl(1-dibenzylphosphanylhexyl)phosphane is CCCCCC(P(Cc1ccccc1)Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl(1-dibenzylphosphanylhexyl)phosphane?
The InChIKey is PWIVZUSBAUKUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40P2/c1-2-3-8-25-34(35(26-30-17-9-4-10-18-30)27-31-19-11-5-12-20-31)36(28-32-21-13-6-14-22-32)29-33-23-15-7-16-24-33/h4-7,9-24,34H,2-3,8,25-29H2,1H3.
What are the key properties of dibenzyl(1-dibenzylphosphanylhexyl)phosphane?
dibenzyl(1-dibenzylphosphanylhexyl)phosphane has a molecular weight of 510.64 g/mol, XLogP of 10.66, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(1-dibenzylphosphanylhexyl)phosphane is sourced from PubChem (CID 90108098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).