2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane

C39H43P — CID 22237095

IUPAC2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane
SMILESCCCCCCCCP1C(c2ccc3ccccc3c2)CC(c2ccccc2)CC1c1ccc2ccccc2c1
InChIInChI=1S/C39H43P/c1-2-3-4-5-6-14-25-40-38(35-23-21-31-17-10-12-19-33(31)26-35)28-37(30-15-8-7-9-16-30)29-39(40)36-24-22-32-18-11-13-20-34(32)27-36/h7-13,15-24,26-27,37-39H,2-6,14,25,28-29H2,1H3
InChIKeyNVSIUESSKJANOG-UHFFFAOYSA-N
MW542.75 g/mol
LogP12.20
Rot. Bonds10

About 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane

2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane (PubChem CID 22237095) has the molecular formula C39H43P and a molecular weight of 542.75 g/mol. Its IUPAC name is 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane.

Molecular Properties

Compound Name2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane
PubChem CID22237095
Molecular FormulaC39H43P
Molecular Weight542.75 g/mol
Exact Mass542.31
IUPAC Name2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane
SMILESCCCCCCCCP1C(c2ccc3ccccc3c2)CC(c2ccccc2)CC1c1ccc2ccccc2c1
InChIInChI=1S/C39H43P/c1-2-3-4-5-6-14-25-40-38(35-23-21-31-17-10-12-19-33(31)26-35)28-37(30-15-8-7-9-16-30)29-39(40)36-24-22-32-18-11-13-20-34(32)27-36/h7-13,15-24,26-27,37-39H,2-6,14,25,28-29H2,1H3
InChIKeyNVSIUESSKJANOG-UHFFFAOYSA-N
XLogP12.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.75
LogP ≤ 512.20
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane?
The IUPAC name of 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane (CID 22237095) is 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane.
What is the SMILES notation for 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane?
The canonical SMILES for 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane is CCCCCCCCP1C(c2ccc3ccccc3c2)CC(c2ccccc2)CC1c1ccc2ccccc2c1.
What is the InChIKey of 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane?
The InChIKey is NVSIUESSKJANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43P/c1-2-3-4-5-6-14-25-40-38(35-23-21-31-17-10-12-19-33(31)26-35)28-37(30-15-8-7-9-16-30)29-39(40)36-24-22-32-18-11-13-20-34(32)27-36/h7-13,15-24,26-27,37-39H,2-6,14,25,28-29H2,1H3.
What are the key properties of 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane?
2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane has a molecular weight of 542.75 g/mol, XLogP of 12.20, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinaphthalen-2-yl-1-octyl-4-phenylphosphinane is sourced from PubChem (CID 22237095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).