bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

C36H19F12P — CID 11434021

IUPACbis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESFC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C36H19F12P/c37-33(38,39)22-14-23(34(40,41)42)17-26(16-22)49(27-18-24(35(43,44)45)15-25(19-27)36(46,47)48)31-13-12-21-7-2-4-10-29(21)32(31)30-11-5-8-20-6-1-3-9-28(20)30/h1-19H
InChIKeyUNPBXQROYYRJOY-UHFFFAOYSA-N
MW710.50 g/mol
LogP11.49
Rot. Bonds4

About bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (PubChem CID 11434021) has the molecular formula C36H19F12P and a molecular weight of 710.50 g/mol. Its IUPAC name is bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namebis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
PubChem CID11434021
Molecular FormulaC36H19F12P
Molecular Weight710.50 g/mol
Exact Mass710.10
IUPAC Namebis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESFC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc(C(F)(F)F)c1
InChIInChI=1S/C36H19F12P/c37-33(38,39)22-14-23(34(40,41)42)17-26(16-22)49(27-18-24(35(43,44)45)15-25(19-27)36(46,47)48)31-13-12-21-7-2-4-10-29(21)32(31)30-11-5-8-20-6-1-3-9-28(20)30/h1-19H
InChIKeyUNPBXQROYYRJOY-UHFFFAOYSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.50
LogP ≤ 511.49
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 bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The IUPAC name of bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (CID 11434021) is bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.
What is the SMILES notation for bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The canonical SMILES for bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is FC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc(C(F)(F)F)c1.
What is the InChIKey of bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The InChIKey is UNPBXQROYYRJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19F12P/c37-33(38,39)22-14-23(34(40,41)42)17-26(16-22)49(27-18-24(35(43,44)45)15-25(19-27)36(46,47)48)31-13-12-21-7-2-4-10-29(21)32(31)30-11-5-8-20-6-1-3-9-28(20)30/h1-19H.
What are the key properties of bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane has a molecular weight of 710.50 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis(trifluoromethyl)phenyl]-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 11434021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).