dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane

C30H48P2 — CID 54128572

IUPACdibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane
SMILESCCCCP(CCCC)CC1c2cccc3cccc(c23)C1CP(CCCC)CCCC
InChIInChI=1S/C30H48P2/c1-5-9-19-31(20-10-6-2)23-28-26-17-13-15-25-16-14-18-27(30(25)26)29(28)24-32(21-11-7-3)22-12-8-4/h13-18,28-29H,5-12,19-24H2,1-4H3
InChIKeyNSROFAHXHRVVKQ-UHFFFAOYSA-N
MW470.66 g/mol
LogP10.18
Rot. Bonds16

About dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane

dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane (PubChem CID 54128572) has the molecular formula C30H48P2 and a molecular weight of 470.66 g/mol. Its IUPAC name is dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane.

Molecular Properties

Compound Namedibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane
PubChem CID54128572
Molecular FormulaC30H48P2
Molecular Weight470.66 g/mol
Exact Mass470.32
IUPAC Namedibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane
SMILESCCCCP(CCCC)CC1c2cccc3cccc(c23)C1CP(CCCC)CCCC
InChIInChI=1S/C30H48P2/c1-5-9-19-31(20-10-6-2)23-28-26-17-13-15-25-16-14-18-27(30(25)26)29(28)24-32(21-11-7-3)22-12-8-4/h13-18,28-29H,5-12,19-24H2,1-4H3
InChIKeyNSROFAHXHRVVKQ-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane?
The IUPAC name of dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane (CID 54128572) is dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane.
What is the SMILES notation for dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane?
The canonical SMILES for dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane is CCCCP(CCCC)CC1c2cccc3cccc(c23)C1CP(CCCC)CCCC.
What is the InChIKey of dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane?
The InChIKey is NSROFAHXHRVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48P2/c1-5-9-19-31(20-10-6-2)23-28-26-17-13-15-25-16-14-18-27(30(25)26)29(28)24-32(21-11-7-3)22-12-8-4/h13-18,28-29H,5-12,19-24H2,1-4H3.
What are the key properties of dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane?
dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane has a molecular weight of 470.66 g/mol, XLogP of 10.18, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[[2-(dibutylphosphanylmethyl)-1,2-dihydroacenaphthylen-1-yl]methyl]phosphane is sourced from PubChem (CID 54128572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).