dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane

C26H42P2 — CID 90109429

IUPACdibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane
SMILESCCCCP(CCCC)c1ccc2ccccc2c1P(CCCC)CCCC
InChIInChI=1S/C26H42P2/c1-5-9-19-27(20-10-6-2)25-18-17-23-15-13-14-16-24(23)26(25)28(21-11-7-3)22-12-8-4/h13-18H,5-12,19-22H2,1-4H3
InChIKeyMDEYMSABPDNZRS-UHFFFAOYSA-N
MW416.57 g/mol
LogP8.25
Rot. Bonds14

About dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane

dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane (PubChem CID 90109429) has the molecular formula C26H42P2 and a molecular weight of 416.57 g/mol. Its IUPAC name is dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namedibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane
PubChem CID90109429
Molecular FormulaC26H42P2
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Namedibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane
SMILESCCCCP(CCCC)c1ccc2ccccc2c1P(CCCC)CCCC
InChIInChI=1S/C26H42P2/c1-5-9-19-27(20-10-6-2)25-18-17-23-15-13-14-16-24(23)26(25)28(21-11-7-3)22-12-8-4/h13-18H,5-12,19-22H2,1-4H3
InChIKeyMDEYMSABPDNZRS-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptane;phenanthrene
CID 157482146
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
CID 21096598
1-(2-dibutylphosphanylnaphthalen-1-yl)-3-[2-(2-hydroxyphenyl)ethoxymethyl]naphthalen-2-ol
CID 101464400
(2-methylphenyl)-dioctylphosphane
CID 70128590
phenanthrene;sulfane
CID 159172584
dibutyl-(4-dibutylphosphanyl-2-methylthiophen-3-yl)phosphane
CID 170552521
dipentyl-(2-phenylphenyl)phosphane
CID 67449535
butane;chrysene;ethane
CID 143984277
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
dipentyl(phenyl)phosphane
CID 3085487
1-(2-dibutylphosphanylphenyl)-N-phenylmethanimine
CID 139799850

Frequently Asked Questions

What is the IUPAC name of dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane?
The IUPAC name of dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane (CID 90109429) is dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane.
What is the SMILES notation for dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane?
The canonical SMILES for dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane is CCCCP(CCCC)c1ccc2ccccc2c1P(CCCC)CCCC.
What is the InChIKey of dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane?
The InChIKey is MDEYMSABPDNZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42P2/c1-5-9-19-27(20-10-6-2)25-18-17-23-15-13-14-16-24(23)26(25)28(21-11-7-3)22-12-8-4/h13-18H,5-12,19-22H2,1-4H3.
What are the key properties of dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane?
dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane has a molecular weight of 416.57 g/mol, XLogP of 8.25, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(1-dibutylphosphanylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 90109429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).